Geometry & MOs

Info

ID:

107390

PubChem CID:

50201328

Reduced:

N5O6C30H41 (1)

Stoich.:

A5B6C30D41 (1)

Weight, g/mol:

575.271939

ΔHf, kcal/mol:

-231.16

Dipole, Da:

8.91

IP(EA), eV:

 -8.52(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)OC)OC)C

DOS

IR

Vibrations