Geometry & MOs

Info

ID:

106712

PubChem CID:

50173391

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-230.84

Dipole, Da:

14.69

IP(EA), eV:

 -8.83(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations