Geometry & MOs

Info

ID:	30837
PubChem CID:	841990
Reduced:	SO2N3C7H9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	3.86
IP(EA), eV:	-9.32(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-amino-4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1C[C@H](OC1)N2C(=S)NC(=O)C=N2

DOS

IR

Vibrations