Geometry & MOs

Info

ID:

104978

PubChem CID:

50106081

Reduced:

O4F5N5C35H38 (1)

Stoich.:

A4B5C5D35E38 (1)

Weight, g/mol:

721.245423

ΔHf, kcal/mol:

-385.23

Dipole, Da:

8.44

IP(EA), eV:

 -9.18(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations