Geometry & MOs

Info

ID:

108884

PubChem CID:

50263006

Reduced:

N5O5C38H41 (1)

Stoich.:

A5B5C38D41 (1)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-135.66

Dipole, Da:

7.68

IP(EA), eV:

 -8.56(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-fluorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations