Geometry & MOs

Info

ID:	141651
PubChem CID:	52908712
Reduced:	SN2O3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	442.125909
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	3.66
IP(EA), eV:	-8.45(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[(2S)-1-[4-(dimethylamino)phenyl]propan-2-yl]-4-(thiophen-2-ylsulfonylamino)benzenecarboximidate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCSCC2)NC(=O)C3=CC=C(C=C3)OC[C@@H]4CCCO4

DOS

IR

Vibrations