Geometry & MOs

Info

ID:	155420
PubChem CID:	56355064
Reduced:	OSN6H16C21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	125.19
Dipole, Da:	6.26
IP(EA), eV:	-8.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(Z)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoyl]amino]-N-pyridin-4-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(S2)C(=O)NC3=CN(N=C3)CC4=CN5C=CC=CC5=N4

DOS

IR

Vibrations