Geometry & MOs

Info

ID:	336017
PubChem CID:	127255024
Reduced:	ClON2C17H29 (1)
Stoich.:	ABC2D17E29 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	5.99
IP(EA), eV:	-8.75(0.04)
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-thiophen-3-ylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCN1C(=NC2=CC=CC=C21)C.O.Cl

DOS

IR

Vibrations