Geometry & MOs

Info

ID:

111007

PubChem CID:

50348299

Reduced:

N6O6C37H54 (1)

Stoich.:

A6B6C37D54 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-268.17

Dipole, Da:

4.94

IP(EA), eV:

 -8.41(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C)C(=O)NCC(C)C

DOS

IR

Vibrations