Geometry & MOs

Info

ID:	132309
PubChem CID:	51341282
Reduced:	ClNO4H38C41 (1)
Stoich.:	ABC4D38E41 (1)
Weight, g/mol:	699.275151
ΔH_f, kcal/mol:	-77.36
Dipole, Da:	5.2
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] 1-O-(9H-fluoren-9-ylmethyl) (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](C)[C@@H](C(=O)OC(C1=CC=CC=C1)(C2=CC=C(C=C2)C)C3=CC=CC=C3Cl)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H](C)[C@@H](C(=O)OC(C1=CC=CC=C1)(C2=CC=C(C=C2)C)C3=CC=CC=C3Cl)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):