Geometry & MOs

Info

ID:	412039
PubChem CID:	135084902
Reduced:	ClN3O5C32H50 (1)
Stoich.:	AB3C5D32E50 (1)
Weight, g/mol:	354.19032
ΔH_f, kcal/mol:	-282.86
Dipole, Da:	9.96
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(methylamino)-5-oxo-4-[[(2S)-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoic acid

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

CC1=C(CC(=C(N1)C)C(=O)OCC(C)C)C(=O)OCC(C)C.CC(C)(C)[C@@H]1N[C@@H](C(=O)N1C)CC2=CC=CC=C2.Cl

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

CC1=C(CC(=C(N1)C)C(=O)OCC(C)C)C(=O)OCC(C)C.CC(C)(C)[C@@H]1N[C@@H](C(=O)N1C)CC2=CC=CC=C2.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):