Geometry & MOs

Info

ID:

113147

PubChem CID:

50432664

Reduced:

N5O5C34H47 (1)

Stoich.:

A5B5C34D47 (1)

Weight, g/mol:

720.324703

ΔHf, kcal/mol:

-205.74

Dipole, Da:

7.53

IP(EA), eV:

 -8.56(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations