Geometry & MOs

Info

ID:

336088

PubChem CID:

127255095

Reduced:

O3N7C25H29 (1)

Stoich.:

A3B7C25D29 (1)

Weight, g/mol:

536.147804

ΔHf, kcal/mol:

-29.92

Dipole, Da:

3.76

IP(EA), eV:

 -8.49(-0.92)

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-(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)propanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)C[C@H]4C(=O)NC5=CC=CC=C5C(=O)N4

DOS

IR

Vibrations