Geometry & MOs

Info

ID:

98414

PubChem CID:

50043889

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

640.201252

ΔHf, kcal/mol:

-253.59

Dipole, Da:

11.06

IP(EA), eV:

 -8.91(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoyl-5-chloroanilino)-2-oxoethyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N

DOS

IR

Vibrations