Geometry & MOs

Info

ID:	90030
PubChem CID:	49965875
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	463.131425
ΔH_f, kcal/mol:	-62.44
Dipole, Da:	5.14
IP(EA), eV:	-9.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC

DOS

IR

Vibrations