Geometry & MOs

Info

ID:

92929

PubChem CID:

49990550

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

756.376597

ΔHf, kcal/mol:

-245.6

Dipole, Da:

6.58

IP(EA), eV:

 -8.68(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]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=C4C(=O)NC(C)C

DOS

IR

Vibrations