Geometry & MOs

Info

ID:

106537

PubChem CID:

50166790

Reduced:

N3O3C16H21 (2)

Stoich.:

A3B3C16D21 (2)

Weight, g/mol:

601.287589

ΔHf, kcal/mol:

-246.98

Dipole, Da:

1.81

IP(EA), eV:

 -8.19(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C)OC

DOS

IR

Vibrations