Geometry & MOs

Info

ID:	265497
PubChem CID:	103525720
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	279.115381
ΔH_f, kcal/mol:	-126.15
Dipole, Da:	3.92
IP(EA), eV:	-8.42(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(3-aminopyrrolidin-1-yl)-4-cyano-N,N-dimethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(SC(=C1N)C(=O)C)N2CCC(C2)N

DOS

IR

Vibrations