Geometry & MOs

Info

ID:	194512
PubChem CID:	78547700
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	400.130218
ΔH_f, kcal/mol:	-116.24
Dipole, Da:	15.32
IP(EA), eV:	-8.49(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC(=C2)NC(=O)C)C

DOS

IR

Vibrations