Geometry & MOs

Info

ID:	129170
PubChem CID:	51071839
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-152.21
Dipole, Da:	4.76
IP(EA), eV:	-9.48(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC[C@H]2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations