Geometry & MOs

Info

ID:	150826
PubChem CID:	53790522
Reduced:	SN2O2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	385.084764
ΔH_f, kcal/mol:	-16.68
Dipole, Da:	4.24
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dichloro-5-(2-propan-2-yloxyethoxy)phenyl]-3-prop-1-en-2-ylpyrrole-2,5-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=NN2C(=CSC2=O)O

DOS

IR

Vibrations