Geometry & MOs

Info

ID:	369258
PubChem CID:	127331636
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	-150.01
Dipole, Da:	3.42
IP(EA), eV:	-8.73(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylthiomorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)CN2CCC(=O)NC2=O)C

DOS

IR

Vibrations