Geometry & MOs

Info

ID:

108430

PubChem CID:

50244537

Reduced:

ClF2N5O5C32H34 (1)

Stoich.:

AB2C5D5E32F34 (1)

Weight, g/mol:

786.310803

ΔHf, kcal/mol:

-254.0

Dipole, Da:

4.13

IP(EA), eV:

 -8.63(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations