Geometry & MOs

Info

ID:

99172

PubChem CID:

50048775

Reduced:

F2N5O5C35H41 (1)

Stoich.:

A2B5C5D35E41 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-267.74

Dipole, Da:

5.48

IP(EA), eV:

 -8.81(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C

DOS

IR

Vibrations