Geometry & MOs

Info

ID:	140860
PubChem CID:	52772174
Reduced:	NSO3C20H25 (1)
Stoich.:	ABC3D20E25 (1)
Weight, g/mol:	415.106514
ΔH_f, kcal/mol:	-94.79
Dipole, Da:	4.71
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=C(C=C1)OC)NC(=O)CSC2=CC=CC=C2OC

DOS

IR

Vibrations