Geometry & MOs

Info

ID:	358638
PubChem CID:	127296417
Reduced:	N2O2S2C15H16 (1)
Stoich.:	A2B2C2D15E16 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-17.04
Dipole, Da:	3.63
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-oxo-1,4-thiazinane-4-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)N2CCS(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations