Geometry & MOs

Info

ID:

111746

PubChem CID:

50379981

Reduced:

FO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-217.97

Dipole, Da:

7.4

IP(EA), eV:

 -8.77(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C(=O)NC4CCCCC4

DOS

IR

Vibrations