Geometry & MOs

Info

ID:	50779
PubChem CID:	12013367
Reduced:	SN2O2C23H32 (1)
Stoich.:	AB2C2D23E32 (1)
Weight, g/mol:	386.202799
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	6.1
IP(EA), eV:	-9.17(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-cyclohexyl-3-oxo-6,7,8,8a-tetrahydro-5H-benzo[b][1,4]thiazine-4a-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C(=O)CS[C@@H]3[C@@]2(CCCC3)C(=O)NC4CCCCC4

DOS

IR

Vibrations