Geometry & MOs

Info

ID:	89505
PubChem CID:	49962163
Reduced:	S2O3N6C17H22 (1)
Stoich.:	A2B3C6D17E22 (1)
Weight, g/mol:	354.12628
ΔH_f, kcal/mol:	-29.97
Dipole, Da:	6.42
IP(EA), eV:	-8.66(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-3-methyl-4H-pyrano[2,3-c]pyrazole-1-carbothioamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N/N=C\3/C(=NN(C3=O)C(=S)N)C

DOS

IR

Vibrations