Geometry & MOs

Info

ID:	29305
PubChem CID:	832891
Reduced:	SN3O3H13C17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	349.071883
ΔH_f, kcal/mol:	31.44
Dipole, Da:	8.78
IP(EA), eV:	-9.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations