Geometry & MOs

Info

ID:	28038
PubChem CID:	825240
Reduced:	ON2S2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	34.59
Dipole, Da:	0.2
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dihydroxy-6H-benzo[d][1,3]benzodiazepin-6-yl)-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)S[C@@H]3C4=C(N=CC=C4)S[C@H]2O3

DOS

IR

Vibrations