Geometry & MOs

Info

ID:	133313
PubChem CID:	51507339
Reduced:	NSO4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	459.103948
ΔH_f, kcal/mol:	-173.97
Dipole, Da:	5.61
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3S)-7'-amino-6'-cyano-2'-[(3-fluorophenyl)methylsulfanyl]-5-methyl-2-oxospiro[1H-indole-3,5'-8H-pyrido[2,3-d]pyrimidine]-4'-olate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C[C@H]4C(=O)NC5=CC=CC=C5S4

DOS

IR

Vibrations