Geometry & MOs

Info

ID:	335847
PubChem CID:	127254709
Reduced:	ClO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	460.114962
ΔH_f, kcal/mol:	-33.3
Dipole, Da:	7.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.874868
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-chloro-3-nitrophenyl)-3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)C)C

DOS

IR

Vibrations