Geometry & MOs

Info

ID:	89502
PubChem CID:	49962129
Reduced:	SO4N5H17C18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	411.115381
ΔH_f, kcal/mol:	-36.34
Dipole, Da:	4.38
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-anthracen-9-yl-5-cyano-3-methyl-4H-pyrano[2,3-c]pyrazole-1-carbothioamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC(=O)C)OC)C(=S)N

DOS

IR

Vibrations