Geometry & MOs

Info

ID:	224931
PubChem CID:	85730926
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	614.264154
ΔH_f, kcal/mol:	-180.12
Dipole, Da:	1.58
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[(1-methyl-2H-pyridin-5-yl)carbamoyl]anilino]-3-oxoprop-1-enyl]-N-[4-[(1-methyl-2H-pyridin-5-yl)carbamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

COC(=O)CCCCCCCCCCC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations