Geometry & MOs

Info

ID:	264020
PubChem CID:	103417711
Reduced:	N2S2O4C13H20 (1)
Stoich.:	A2B2C4D13E20 (1)
Weight, g/mol:	322.092204
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	8.13
IP(EA), eV:	-8.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyano-N-cyclopropyl-5-(1,4-thiazepan-4-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCOC)C1=C(C(=C(S1)C(=O)C2CC2)N)S(=O)(=O)C

DOS

IR

Vibrations