Geometry & MOs

Info

ID:	243727
PubChem CID:	99234388
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	402.080491
ΔH_f, kcal/mol:	-120.67
Dipole, Da:	3.36
IP(EA), eV:	-8.59(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-7-chloro-N-[2-(3-methoxyphenyl)ethyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NS(=O)(=O)C)C(=O)N[C@H]2CCN3[C@@H]2CCCC3

DOS

IR

Vibrations