Geometry & MOs

Info

ID:	268535
PubChem CID:	103599842
Reduced:	ClON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	400.057447
ΔH_f, kcal/mol:	48.48
Dipole, Da:	6.06
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1C(C)NC(=O)C=CC3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations