Geometry & MOs

Info

ID:

97244

PubChem CID:

50029112

Reduced:

F2N5O5C31H33 (1)

Stoich.:

A2B5C5D31E33 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-242.17

Dipole, Da:

7.15

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methoxy-4-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC)OC

DOS

IR

Vibrations