Geometry & MOs

Info

ID:	433585
PubChem CID:	135173725
Reduced:	NOC3H5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	664.220096
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	4.04
IP(EA), eV:	-9.33(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[8-[3-[2-chloro-3-[(5-ethenyl-1-methyl-2-oxopyridine-3-carbonyl)amino]phenyl]-2-methoxyanilino]-1,7-naphthyridin-3-yl]methyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CN1CC(C(=O)C1)NC=O

DOS

IR

Vibrations