Geometry & MOs

Info

ID:	182225
PubChem CID:	76861685
Reduced:	SO3N4C27H34 (1)
Stoich.:	AB3C4D27E34 (1)
Weight, g/mol:	462.175933
ΔH_f, kcal/mol:	-57.76
Dipole, Da:	3.27
IP(EA), eV:	-8.95(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CNC(=O)CCCCCN2C(=O)C3C=CC=CC3=NC2=S)N4CCOCC4

DOS

IR

Vibrations