Geometry & MOs

Info

ID:	33366
PubChem CID:	7886094
Reduced:	S2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-36.8
Dipole, Da:	5.22
IP(EA), eV:	-8.37(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C(=O)CSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2CC=C

DOS

IR

Vibrations