Geometry & MOs

Info

ID:	167980
PubChem CID:	74908985
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	430.119858
ΔH_f, kcal/mol:	-144.07
Dipole, Da:	4.36
IP(EA), eV:	-9.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyano-3-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(NC(=O)N1)SC(C(=O)C)C(=O)C

DOS

IR

Vibrations