Geometry & MOs

Info

ID:	396380
PubChem CID:	135028232
Reduced:	BrO2N7H23C25 (1)
Stoich.:	AB2C7D23E25 (1)
Weight, g/mol:	372.064257
ΔH_f, kcal/mol:	76.68
Dipole, Da:	7.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124407
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-(5-thiophen-2-ylthiophen-2-yl)-2-benzofuran

Drug info:

PubChemData

Smile

C[C@H](C1=C2C(=CNC2=C(C=C1)O)C3=CN=C(C(=O)N3)C4=CNC5=C4C=CC(=C5)Br)C6=CNC([NH2+]6)N

DOS

IR

Vibrations