Geometry & MOs

Info

ID:

117489

PubChem CID:

50604781

Reduced:

Cl2O5N6C32H42 (1)

Stoich.:

A2B5C6D32E42 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-213.87

Dipole, Da:

4.21

IP(EA), eV:

 -9.13(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl)Cl

DOS

IR

Vibrations