Geometry & MOs

Info

ID:	334455
PubChem CID:	127253007
Reduced:	N2O7C22H24 (1)
Stoich.:	A2B7C22D24 (1)
Weight, g/mol:	465.201219
ΔH_f, kcal/mol:	-221.68
Dipole, Da:	2.98
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)COC4=CC=C(C=C4)OC

DOS

IR

Vibrations