Geometry & MOs

Info

ID:	243501
PubChem CID:	99224404
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	415.013048
ΔH_f, kcal/mol:	-160.26
Dipole, Da:	6.38
IP(EA), eV:	-8.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-ylmethyl)-2-fluoro-4-(methanesulfonamido)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[C@@]3(C(=O)NC(=O)N3)C

DOS

IR

Vibrations