Geometry & MOs

Info

ID:

115242

PubChem CID:

50514774

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-216.31

Dipole, Da:

2.56

IP(EA), eV:

 -8.49(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-[(2-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations