Geometry & MOs

Info

ID:	307585
PubChem CID:	125307599
Reduced:	N3H25C33 (1)
Stoich.:	A3B25C33 (1)
Weight, g/mol:	400.092003
ΔH_f, kcal/mol:	181.93
Dipole, Da:	4.28
IP(EA), eV:	-8.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7'aR)-6'-amino-5-nitro-2-oxo-3'-phenylspiro[1H-indole-3,4'-7aH-pyrano[2,3-c]pyrazole]-5'-carbonitrile

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)[C@H]3C4=CC=CC=C4N(C=C3C5=NC6=CC=CC=C6C=C5)CC7=CC=CC=C7

DOS

IR

Vibrations