Geometry & MOs

Info

ID:	43378
PubChem CID:	10321202
Reduced:	NSO6C22H37 (1)
Stoich.:	ABC6D22E37 (1)
Weight, g/mol:	443.158886
ΔH_f, kcal/mol:	-296.9
Dipole, Da:	5.73
IP(EA), eV:	-9.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylcyclohexanecarbonyl)-(thian-4-yl)amino]-5-phenylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)N1C(=O)CC(C1=O)S(=O)(=O)O

DOS

IR

Vibrations