Geometry & MOs

Info

ID:	423933
PubChem CID:	135120798
Reduced:	SO6N8C31H40 (1)
Stoich.:	AB6C8D31E40 (1)
Weight, g/mol:	404.053435
ΔH_f, kcal/mol:	-203.3
Dipole, Da:	9.96
IP(EA), eV:	-9.27(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-benzothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CN3C=CSC3=N2)C)CC4=CC=CC=C4

DOS

IR

Vibrations