Geometry & MOs

Info

ID:	195315
PubChem CID:	78672340
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	394.195309
ΔH_f, kcal/mol:	-172.95
Dipole, Da:	6.01
IP(EA), eV:	-9.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-[(4-methylphenyl)-thiophen-2-ylmethyl]azanium

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC)NS(=O)(=O)C1=CC(=C(C=C1)C)C

DOS

IR

Vibrations