Geometry & MOs

Info

ID:	121575
PubChem CID:	50773771
Reduced:	BrClSN2O3H14C18 (1)
Stoich.:	ABCD2E3F14G18 (1)
Weight, g/mol:	361.131408
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	5.22
IP(EA), eV:	-8.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=C(O2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations