Geometry & MOs

Info

ID:

92596

PubChem CID:

49988403

Reduced:

N5O5C35H49 (1)

Stoich.:

A5B5C35D49 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-225.92

Dipole, Da:

6.87

IP(EA), eV:

 -8.75(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations