Geometry & MOs

Info

ID:	177871
PubChem CID:	76246512
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	379.93857
ΔH_f, kcal/mol:	-7.09
Dipole, Da:	4.79
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-3-yl)-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C=CC2=CC=C(C=C2)C(=O)NC3CC3)C4=CC=CC=C4

DOS

IR

Vibrations