Geometry & MOs

Info

ID:

99976

PubChem CID:

50056798

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-216.83

Dipole, Da:

10.72

IP(EA), eV:

 -9.06(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations