Geometry & MOs

Info

ID:

100126

PubChem CID:

50058597

Reduced:

F2O5N6C39H48 (1)

Stoich.:

A2B5C6D39E48 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-283.0

Dipole, Da:

8.94

IP(EA), eV:

 -8.8(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(C)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations