Geometry & MOs

Info

ID:

112055

PubChem CID:

50393238

Reduced:

FO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

615.303239

ΔHf, kcal/mol:

-214.98

Dipole, Da:

6.49

IP(EA), eV:

 -9.12(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NCC3=CC=C(C=C3)F)C(=O)NC4CCCCC4

DOS

IR

Vibrations