Geometry & MOs

Info

ID:	69477
PubChem CID:	47190771
Reduced:	ClSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	307.096618
ΔH_f, kcal/mol:	-43.15
Dipole, Da:	3.54
IP(EA), eV:	-9.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)C(=O)NCC2=CC=C(S2)Cl

DOS

IR

Vibrations