Geometry & MOs

Info

ID:	121593
PubChem CID:	50774201
Reduced:	BrNO3H22C25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	445.171165
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	4.4
IP(EA), eV:	-8.63(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methylsulfanylphenyl)methyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=C(C=C3)Br)CC4=CC=CC=C4OC)O

DOS

IR

Vibrations