Geometry & MOs

Info

ID:	265052
PubChem CID:	103508331
Reduced:	S2N3O3C13H23 (1)
Stoich.:	A2B3C3D13E23 (1)
Weight, g/mol:	313.128255
ΔH_f, kcal/mol:	-157.34
Dipole, Da:	8.34
IP(EA), eV:	-8.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[(4-ethylcyclohexyl)amino]-4-methylsulfanylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)CC(C)NC1=C(C(=C(S1)C(=O)N)N)S(=O)(=O)C

DOS

IR

Vibrations