Geometry & MOs

Info

ID:	50778
PubChem CID:	12013366
Reduced:	ClSN2O2C19H25 (1)
Stoich.:	ABC2D2E19F25 (1)
Weight, g/mol:	400.218449
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	5.29
IP(EA), eV:	-9.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aS)-N-cyclohexyl-3-oxo-4-[(1S)-1-phenylethyl]-6,7,8,8a-tetrahydro-5H-benzo[b][1,4]thiazine-4a-carboxamide

Drug info:

PubChemData

Smile

CC1(CSCC(=O)N1CC2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3

DOS

IR

Vibrations