Geometry & MOs

Info

ID:	173482
PubChem CID:	75643006
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	415.110296
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	6.64
IP(EA), eV:	-9.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-amino-3'-[(4-methylphenyl)sulfanylmethyl]-2-oxospiro[1H-indole-3,4'-3aH-pyrano[2,3-c]pyrazole]-5'-carbonitrile

Drug info:

PubChemData

Smile

CC(=CC(=O)NCC1=CC=CO1)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations