Geometry & MOs

Info

ID:	66302
PubChem CID:	46504159
Reduced:	BrClSN2O3H16C17 (1)
Stoich.:	ABCD2E3F16G17 (1)
Weight, g/mol:	440.191583
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	10.1
IP(EA), eV:	-8.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-morpholin-4-ylpropyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br)Cl

DOS

IR

Vibrations