Geometry & MOs

Info

ID:	148013
PubChem CID:	53787675
Reduced:	SN3O7C14H23 (1)
Stoich.:	AB3C7D14E23 (1)
Weight, g/mol:	511.024968
ΔH_f, kcal/mol:	-304.87
Dipole, Da:	4.53
IP(EA), eV:	-9.24(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(5-chloro-1,3-benzothiazol-2-yl)-4-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C(CC(=O)NC(CSCC=CCO)C(=O)NCC(=O)O)C(C(=O)O)N

DOS

IR

Vibrations