Geometry & MOs

Info

ID:	173883
PubChem CID:	75693253
Reduced:	NOSH11C15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	390.98778
ΔH_f, kcal/mol:	61.17
Dipole, Da:	3.19
IP(EA), eV:	-9.47(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-(thiophene-3-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C(C#N)C(=O)C2=CSC=C2

DOS

IR

Vibrations