Geometry & MOs

Info

ID:	129158
PubChem CID:	51071770
Reduced:	N3O4C27H29 (1)
Stoich.:	A3B4C27D29 (1)
Weight, g/mol:	595.341007
ΔH_f, kcal/mol:	-114.31
Dipole, Da:	8.43
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R,2R)-2-[(4-methoxybenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]-1-(2-phenylbutanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations