Geometry & MOs

Info

ID:

117838

PubChem CID:

50617647

Reduced:

ClN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

738.293261

ΔHf, kcal/mol:

-191.41

Dipole, Da:

11.46

IP(EA), eV:

 -8.43(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[4-methoxy-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C)OC

DOS

IR

Vibrations