Geometry & MOs

Info

ID:

113721

PubChem CID:

50455818

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

645.172116

ΔHf, kcal/mol:

-249.51

Dipole, Da:

12.48

IP(EA), eV:

 -8.86(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,4-dichloroanilino)-3-oxopropyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations