Geometry & MOs

Info

ID:	75512
PubChem CID:	48423577
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	410.145342
ΔH_f, kcal/mol:	-72.99
Dipole, Da:	1.58
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=CS2)OCC3CC3

DOS

IR

Vibrations