Geometry & MOs

Info

ID:	415177
PubChem CID:	135088168
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	372.11775
ΔH_f, kcal/mol:	18.56
Dipole, Da:	4.97
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=NC(=N1)N[C@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations