Geometry & MOs

Info

ID:	234599
PubChem CID:	92303140
Reduced:	N2S2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	7.22
IP(EA), eV:	-8.63(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)/C(=C/C=C/C=C\N(C2=CC=C(C=C2)OC)C(=O)C)/SC1=S

DOS

IR

Vibrations