Geometry & MOs

Info

ID:	220562
PubChem CID:	85197820
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	330.074822
ΔH_f, kcal/mol:	-105.84
Dipole, Da:	4.4
IP(EA), eV:	-9.65(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl 4-hydroxy-4-methyl-3-phenylsulfanylpent-2-enethioate

Drug info:

PubChemData

Smile

C1CCC(C1)C(C(=O)NC(C2CC2)C(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations