Geometry & MOs

Info

ID:	268006
PubChem CID:	103595117
Reduced:	ClSN3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	15.13
Dipole, Da:	2.3
IP(EA), eV:	-8.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)-(4-methylthiomorpholin-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(N=C(N=C1Cl)C2CSCCN2C)C

DOS

IR

Vibrations