Geometry & MOs

Info

ID:

114111

PubChem CID:

50472049

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

718.347883

ΔHf, kcal/mol:

-202.04

Dipole, Da:

11.79

IP(EA), eV:

 -8.85(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations