Geometry & MOs

Info

ID:	133295
PubChem CID:	51504887
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	421.112999
ΔH_f, kcal/mol:	-130.65
Dipole, Da:	7.42
IP(EA), eV:	-9.19(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide

Drug info:

PubChemData

Smile

CC(=C1[C@H](N(C(=O)C1=O)CCOC)C2=CC=CC=C2)NCCO

DOS

IR

Vibrations