Geometry & MOs

Info

ID:	33766
PubChem CID:	7888011
Reduced:	OS2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	396.060235
ΔH_f, kcal/mol:	49.88
Dipole, Da:	4.71
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanylmethyl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@@H](C)C(=O)NC4=CC=CC(=C4)C#N

DOS

IR

Vibrations