Geometry & MOs

Info

ID:

113920

PubChem CID:

50464421

Reduced:

FN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-200.09

Dipole, Da:

3.11

IP(EA), eV:

 -8.39(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)OC)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations