Geometry & MOs

Info

ID:	236954
PubChem CID:	92716390
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	343.099063
ΔH_f, kcal/mol:	-96.78
Dipole, Da:	4.39
IP(EA), eV:	-9.18(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]propanoic acid

Drug info:

PubChemData

Smile

C1CO[C@H](CO1)CNC(=O)CN2C3=CC=CC=C3SC4=C(C2=O)C=CC=N4

DOS

IR

Vibrations