Geometry & MOs

Info

ID:	33449
PubChem CID:	7886546
Reduced:	BrO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	396.060235
ΔH_f, kcal/mol:	-22.35
Dipole, Da:	1.35
IP(EA), eV:	-9.6(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-8-methyl-4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)chromen-2-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations