Geometry & MOs

Info

ID:

96373

PubChem CID:

50020236

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

702.354111

ΔHf, kcal/mol:

-257.72

Dipole, Da:

8.59

IP(EA), eV:

 -8.4(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(diethylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations