Geometry & MOs

Info

ID:

107533

PubChem CID:

50207652

Reduced:

FN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

742.360946

ΔHf, kcal/mol:

-197.09

Dipole, Da:

10.82

IP(EA), eV:

 -8.41(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations