Geometry & MOs

Info

ID:	395050
PubChem CID:	135024521
Reduced:	O3S3N5H17C19 (1)
Stoich.:	A3B3C5D17E19 (1)
Weight, g/mol:	291.054084
ΔH_f, kcal/mol:	22.72
Dipole, Da:	8.97
IP(EA), eV:	-8.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-(trifluoromethyl)phenyl] morpholine-4-carbothioate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=CSC(=S)N3NC(=O)CC4=NC(=O)CS4

DOS

IR

Vibrations