Geometry & MOs

Info

ID:

112831

PubChem CID:

50421919

Reduced:

ClF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

687.242389

ΔHf, kcal/mol:

-233.24

Dipole, Da:

4.47

IP(EA), eV:

 -8.74(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-methylbenzoyl)amino]phenyl]-1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations