Geometry & MOs

Info

ID:	106626
PubChem CID:	50171024
Reduced:	SO4N6C25H34 (1)
Stoich.:	AB4C6D25E34 (1)
Weight, g/mol:	566.190768
ΔH_f, kcal/mol:	-120.53
Dipole, Da:	4.28
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations