Geometry & MOs

Info

ID:

113418

PubChem CID:

50444233

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-220.48

Dipole, Da:

8.87

IP(EA), eV:

 -8.82(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-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)NC3=CC(=CC=C3)NC(=O)C(C)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations