Geometry & MOs

Info

ID:

187547

PubChem CID:

77589582

Reduced:

O3C14H22 (2)

Stoich.:

A3B14C22 (2)

Weight, g/mol:

652.304304

ΔHf, kcal/mol:

-335.22

Dipole, Da:

2.56

IP(EA), eV:

 -10.25(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(butan-2-ylamino)-N-[1-hydroxy-1-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-3-phenylpropan-2-yl]-6-(methylsulfonylmethylamino)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(C(=O)CCC(=O)O)O)C)C

DOS

IR

Vibrations