Geometry & MOs

Info

ID:	155825
PubChem CID:	56367704
Reduced:	SN2O4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	437.086784
ΔH_f, kcal/mol:	-78.76
Dipole, Da:	1.91
IP(EA), eV:	-8.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)thieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3SC5=CC=CC=C5)OCCO4

DOS

IR

Vibrations