Geometry & MOs

Info

ID:	336218
PubChem CID:	127255225
Reduced:	BrN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	415.129884
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	4.32
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=CC=C3)Br)O

DOS

IR

Vibrations