Geometry & MOs

Info

ID:

98613

PubChem CID:

50045283

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-240.83

Dipole, Da:

10.5

IP(EA), eV:

 -8.55(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,5-difluorophenyl)carbamoyl]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

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C)C)C

DOS

IR

Vibrations