Geometry & MOs

Info

ID:

111508

PubChem CID:

50370474

Reduced:

N6O6C41H58 (1)

Stoich.:

A6B6C41D58 (1)

Weight, g/mol:

742.385412

ΔHf, kcal/mol:

-283.78

Dipole, Da:

5.17

IP(EA), eV:

 -8.35(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)OC)C

DOS

IR

Vibrations