Geometry & MOs

Info

ID:	265012
PubChem CID:	103507098
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-127.55
Dipole, Da:	6.08
IP(EA), eV:	-8.5(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyano-5-(oxolan-3-ylmethylamino)-N-propylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(S1)NCC2CCOC2)C(=O)N)N

DOS

IR

Vibrations