Geometry & MOs

Info

ID:

110196

PubChem CID:

50315526

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-198.0

Dipole, Da:

10.93

IP(EA), eV:

 -8.62(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)C

DOS

IR

Vibrations