Geometry & MOs

Info

ID:

99135

PubChem CID:

50048607

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-232.23

Dipole, Da:

10.81

IP(EA), eV:

 -8.6(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-methylanilino)-2-oxoethyl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations