Geometry & MOs

Info

ID:	129177
PubChem CID:	51071857
Reduced:	N3O3C29H37 (1)
Stoich.:	A3B3C29D37 (1)
Weight, g/mol:	402.19032
ΔH_f, kcal/mol:	-118.6
Dipole, Da:	5.77
IP(EA), eV:	-9.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidocyclohexyl)-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations