Geometry & MOs

Info

ID:

95299

PubChem CID:

50007936

Reduced:

N5O5C31H35 (1)

Stoich.:

A5B5C31D35 (1)

Weight, g/mol:

575.254397

ΔHf, kcal/mol:

-148.9

Dipole, Da:

8.0

IP(EA), eV:

 -8.8(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyphenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations