Geometry & MOs

Info

ID:

91410

PubChem CID:

49975747

Reduced:

N5O7C31H41 (1)

Stoich.:

A5B7C31D41 (1)

Weight, g/mol:

603.266854

ΔHf, kcal/mol:

-260.22

Dipole, Da:

7.61

IP(EA), eV:

 -8.34(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations