Geometry & MOs

Info

ID:	136259
PubChem CID:	52008928
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	5.28
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)[C@@]3(C(=O)NC4=CC=CC=C4S3)C

DOS

IR

Vibrations