Geometry & MOs

Info

ID:	312926
PubChem CID:	126609995
Reduced:	ClSO2N3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	365.999654
ΔH_f, kcal/mol:	28.12
Dipole, Da:	2.64
IP(EA), eV:	-8.6(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-pyrazol-3-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

C=C(CSC1=NNC(=N1)C2=CC=C(O2)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations