Geometry & MOs

Info

ID:

107547

PubChem CID:

50208293

Reduced:

FN5O5C31H34 (1)

Stoich.:

AB5C5D31E34 (1)

Weight, g/mol:

679.316998

ΔHf, kcal/mol:

-192.33

Dipole, Da:

1.68

IP(EA), eV:

 -8.78(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methoxy-4-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations