Geometry & MOs

Info

ID:	433874
PubChem CID:	135174017
Reduced:	O2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	727.232825
ΔH_f, kcal/mol:	-74.62
Dipole, Da:	2.03
IP(EA), eV:	-9.6(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(E)-2-[(Z)-[(3Z)-3-butan-2-ylidene-2-[2-chloro-3-[2-chloro-3-[(5-formyl-1-methyl-2-oxopyridine-3-carbonyl)amino]phenyl]anilino]pyridin-4-ylidene]methyl]but-2-enyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC(O1)COC

DOS

IR

Vibrations