Geometry & MOs

Info

ID:

334037

PubChem CID:

127252589

Reduced:

SN4O6C37H44 (1)

Stoich.:

AB4C6D37E44 (1)

Weight, g/mol:

382.164105

ΔHf, kcal/mol:

-50.66

Dipole, Da:

6.68

IP(EA), eV:

 -8.39(-0.42)

Spin(Sz, 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-pyridin-4-ylpropanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)NCCC4=CN(C5=CC=CC=C54)C)OC)OC)OC

DOS

IR

Vibrations