Geometry & MOs

Info

ID:	429257
PubChem CID:	135169161
Reduced:	ClO3N5C28H30 (1)
Stoich.:	AB3C5D28E30 (1)
Weight, g/mol:	539.149095
ΔH_f, kcal/mol:	-63.04
Dipole, Da:	4.39
IP(EA), eV:	-8.92(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-2-N-(3-chlorophenyl)-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

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](C1=CC(=CC=C1)Cl)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC(=C4)C

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](C1=CC(=CC=C1)Cl)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC(=C4)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):