Geometry & MOs

Info

ID:

114240

PubChem CID:

50474884

Reduced:

O5N6C40H44 (1)

Stoich.:

A5B6C40D44 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-140.7

Dipole, Da:

11.77

IP(EA), eV:

 -8.73(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C)C

DOS

IR

Vibrations