Geometry & MOs

Info

ID:	177982
PubChem CID:	76259781
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	458.21409
ΔH_f, kcal/mol:	-137.19
Dipole, Da:	6.42
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2-morpholin-4-yl-6-oxo-1,3-diazinan-5-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C)CCCNC(=O)C=CC1=CC2=C(C=C1)OCC2

DOS

IR

Vibrations