Geometry & MOs

Info

ID:	33340
PubChem CID:	7886015
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	6.4
IP(EA), eV:	-8.53(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-phenoxyethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)OC

DOS

IR

Vibrations