Geometry & MOs

Info

ID:	34127
PubChem CID:	7889960
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	414.082033
ΔH_f, kcal/mol:	-124.33
Dipole, Da:	4.69
IP(EA), eV:	-9.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42

DOS

IR

Vibrations