Geometry & MOs

Info

ID:	182107
PubChem CID:	76843111
Reduced:	N2F3O3C22H29 (1)
Stoich.:	A2B3C3D22E29 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-322.61
Dipole, Da:	2.79
IP(EA), eV:	-9.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-4-ylmethylidene)-4a,5,6,7,8,8a-hexahydro-4H-benzo[b][1,4]thiazin-3-one

Drug info:

PubChemData

Smile

CC1(CCC(C1)NC(=O)OC(C)(C)C)C(=O)N2CCC3=C(C2)C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations