Geometry & MOs

Info

ID:

94533

PubChem CID:

50002148

Reduced:

O4N5C33H47 (1)

Stoich.:

A4B5C33D47 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-184.93

Dipole, Da:

10.77

IP(EA), eV:

 -8.82(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations