Geometry & MOs

Info

ID:

93339

PubChem CID:

49993666

Reduced:

FO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-216.73

Dipole, Da:

9.89

IP(EA), eV:

 -8.87(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations