Geometry & MOs

Info

ID:	30765
PubChem CID:	841815
Reduced:	ClOSN3H10C12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	48.85
Dipole, Da:	3.86
IP(EA), eV:	-8.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)C=NNC(=S)N)Cl

DOS

IR

Vibrations