Geometry & MOs

Info

ID:	346044
PubChem CID:	127270532
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	0.81
IP(EA), eV:	-8.87(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-phenylazetidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NCCNC(=O)N2CCCC2C3=CSC=C3

DOS

IR

Vibrations