Geometry & MOs

Info

ID:	33503
PubChem CID:	7886769
Reduced:	OS2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	394.08097
ΔH_f, kcal/mol:	2.39
Dipole, Da:	2.91
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-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

C[C@@H](C(=O)N1CCCC1)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations