Geometry & MOs

Info

ID:	31964
PubChem CID:	3725688
Reduced:	BrSO2N4H23C25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	509.195071
ΔH_f, kcal/mol:	33.86
Dipole, Da:	3.89
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)Br)C4=CC=CC(=C4)C

DOS

IR

Vibrations