Geometry & MOs

Info

ID:	169820
PubChem CID:	75154809
Reduced:	ClSN2O2C26H29 (1)
Stoich.:	ABC2D2E26F29 (1)
Weight, g/mol:	420.127441
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	7.44
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylidene]-4-methyl-6-(morpholine-4-carbonyl)-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]thiazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCNC(=O)C2CCC3C(C2)N(C(=O)C(=CC4=CC(=CC=C4)Cl)S3)C

DOS

IR

Vibrations