Geometry & MOs

Info

ID:	369904
PubChem CID:	127336741
Reduced:	SN3O3C13H25 (1)
Stoich.:	AB3C3D13E25 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-125.26
Dipole, Da:	5.57
IP(EA), eV:	-8.43(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-oxo-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)NCCN2CCOCC2)C

DOS

IR

Vibrations