Geometry & MOs

Info

ID:	24526
PubChem CID:	610750
Reduced:	N2S2O3C12H16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	300.060235
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	2.4
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-acetyl-4-hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carbohydrazide

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)C1=C2CCCC(C2=C(S1)SC)O

DOS

IR

Vibrations