Geometry & MOs

Info

ID:	34089
PubChem CID:	7889769
Reduced:	N2O2S2C21H22 (1)
Stoich.:	A2B2C2D21E22 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	-23.42
Dipole, Da:	2.76
IP(EA), eV:	-8.39(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CSC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations