Geometry & MOs

Info

ID:	129155
PubChem CID:	51071761
Reduced:	N4O6C23H26 (1)
Stoich.:	A4B6C23D26 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-131.38
Dipole, Da:	10.41
IP(EA), eV:	-9.31(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[(4-methoxybenzoyl)amino]propyl]-1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations