Geometry & MOs

Info

ID:	217521
PubChem CID:	85087937
Reduced:	SN3O4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	371.093977
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	5.07
IP(EA), eV:	-9.62(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-20-methyl-9,9-dioxo-10-oxa-9lambda6-thia-6,20-diazapentacyclo[11.7.0.02,6.05,11.014,19]icosa-1(13),7,14,16,18-pentaene-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(C(=O)N=C1C)C2=CSC(=N2)C3=CC(=NC=C3)OC

DOS

IR

Vibrations