Geometry & MOs

Info

ID:

106387

PubChem CID:

50161658

Reduced:

FO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-204.11

Dipole, Da:

8.0

IP(EA), eV:

 -9.08(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C

DOS

IR

Vibrations