Geometry & MOs

Info

ID:	359747
PubChem CID:	127299694
Reduced:	S2N3O4C17H25 (1)
Stoich.:	A2B3C4D17E25 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	5.54
IP(EA), eV:	-8.97(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2CCCCC2C(=O)NC3CCS(=O)(=O)C3)C

DOS

IR

Vibrations