Geometry & MOs

Info

ID:	178070
PubChem CID:	76272494
Reduced:	SN3O7C23H35 (1)
Stoich.:	AB3C7D23E35 (1)
Weight, g/mol:	461.177313
ΔH_f, kcal/mol:	-325.53
Dipole, Da:	7.04
IP(EA), eV:	-9.54(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,2-diphenylethyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O

DOS

IR

Vibrations