Geometry & MOs

Info

ID:

106998

PubChem CID:

50185355

Reduced:

ClF3N5O5C31H37 (1)

Stoich.:

AB3C5D5E31F37 (1)

Weight, g/mol:

633.277418

ΔHf, kcal/mol:

-361.01

Dipole, Da:

2.98

IP(EA), eV:

 -8.97(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[2-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations