Geometry & MOs

Info

ID:	328894
PubChem CID:	126728851
Reduced:	O2N5C31H37 (1)
Stoich.:	A2B5C31D37 (1)
Weight, g/mol:	350.053214
ΔH_f, kcal/mol:	2.03
Dipole, Da:	4.39
IP(EA), eV:	-8.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-7,7-dimethyl-[1]benzothiolo[3,2-c]xanthene

Drug info:

PubChemData

Smile

C/C(=C(\C(=NC=C)NC1=CC(=CC=C1)NC(=O)OC(C)(C)C)/N)/N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations