Geometry & MOs

Info

ID:

185930

PubChem CID:

77369907

Reduced:

N4O5H30C31 (1)

Stoich.:

A4B5C30D31 (1)

Weight, g/mol:

756.366905

ΔHf, kcal/mol:

-134.11

Dipole, Da:

7.83

IP(EA), eV:

 -8.84(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[[4-[2-(tert-butylcarbamoyl)-2-pyridin-2-ylsulfonylpiperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-2-oxoethyl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1C(N(C2=CC=CC=C21)C(=O)C(CCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5N4)CC(=O)NCC(=O)O

DOS

IR

Vibrations