Geometry & MOs

Info

ID:	31586
PubChem CID:	855904
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	1.52
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzoyl-4,5-dimethylthiophen-2-yl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)C2=CC=CC=C2)NC(=O)C3=CC=CO3)C

DOS

IR

Vibrations