Geometry & MOs

Info

ID:	369873
PubChem CID:	127336546
Reduced:	SN3O3C18H31 (1)
Stoich.:	AB3C3D18E31 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-141.41
Dipole, Da:	4.48
IP(EA), eV:	-8.68(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCCC1CN2CC(CC2=O)C(=O)N3CCS(=O)C(C3C)C

DOS

IR

Vibrations