Geometry & MOs

Info

ID:	274587
PubChem CID:	103810370
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	276.150764
ΔH_f, kcal/mol:	-153.89
Dipole, Da:	3.39
IP(EA), eV:	-8.81(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-ethylsulfonylethyl)cycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CC1CCNCC1

DOS

IR

Vibrations