Geometry & MOs

Info

ID:	336130
PubChem CID:	127255137
Reduced:	ClON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	470.143764
ΔH_f, kcal/mol:	52.65
Dipole, Da:	4.15
IP(EA), eV:	-9.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NC=C(C=C1)Cl)N2C=NN=N2

DOS

IR

Vibrations