Geometry & MOs

Info

ID:	334817
PubChem CID:	127253492
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	509.288971
ΔH_f, kcal/mol:	-120.87
Dipole, Da:	6.72
IP(EA), eV:	-8.38(-0.52)
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-(4-octoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations