Geometry & MOs

Info

ID:	420705
PubChem CID:	135114685
Reduced:	ClO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	372.11775
ΔH_f, kcal/mol:	0.29
Dipole, Da:	4.48
IP(EA), eV:	-9.05(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CCN3C=C(C=N3)Cl

DOS

IR

Vibrations