Geometry & MOs

Info

ID:

104941

PubChem CID:

50106010

Reduced:

F2N5O6C36H43 (1)

Stoich.:

A2B5C6D36E43 (1)

Weight, g/mol:

671.248617

ΔHf, kcal/mol:

-303.95

Dipole, Da:

9.74

IP(EA), eV:

 -8.97(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluoroanilino)-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=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations