Geometry & MOs

Info

ID:	357569
PubChem CID:	127294232
Reduced:	N2S2O3C16H24 (1)
Stoich.:	A2B2C3D16E24 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-109.06
Dipole, Da:	5.45
IP(EA), eV:	-9.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclobutylcycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3CCC3

DOS

IR

Vibrations