Geometry & MOs

Info

ID:	150786
PubChem CID:	53790482
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	329.999654
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	3.75
IP(EA), eV:	-8.91(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dichlorophenyl)-2,5-dihydroxypyrrol-3-yl]propanethioamide

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)NO)S(=O)(=O)CC(=O)NC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations