Geometry & MOs

Info

ID:

97737

PubChem CID:

50034269

Reduced:

ClF2O4N5C33H36 (1)

Stoich.:

AB2C4D5E33F36 (1)

Weight, g/mol:

653.258039

ΔHf, kcal/mol:

-227.94

Dipole, Da:

7.86

IP(EA), eV:

 -8.64(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylbutanoylamino)phenyl]-1-[1-[5-[(2,6-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=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C(C)C)Cl

DOS

IR

Vibrations