Geometry & MOs

Info

ID:

92562

PubChem CID:

49988033

Reduced:

N5O5C36H43 (1)

Stoich.:

A5B5C36D43 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-172.16

Dipole, Da:

6.23

IP(EA), eV:

 -8.32(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations