Geometry & MOs

Info

ID:	79571
PubChem CID:	49829541
Reduced:	SN2O6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	426.03275
ΔH_f, kcal/mol:	-203.48
Dipole, Da:	11.87
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromoanilino)-2-oxoethyl] 2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)OC(=O)C3=CC=CC=C3OC

DOS

IR

Vibrations