Geometry & MOs

Info

ID:	307415
PubChem CID:	125299852
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	10.79
Dipole, Da:	5.02
IP(EA), eV:	-8.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7aR)-6-amino-4-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CSC[C@@H]1OC2=NC=CC(=C2)C(=O)NCCC3=C4C=CC=CC4=NC3

DOS

IR

Vibrations