Geometry & MOs

Info

ID:

112026

PubChem CID:

50392735

Reduced:

O5N6C42H54 (1)

Stoich.:

A5B6C42D54 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-210.48

Dipole, Da:

5.47

IP(EA), eV:

 -8.52(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(4-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations