Geometry & MOs

Info

ID:	391371
PubChem CID:	135004531
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	581.231456
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	5.58
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,5S)-3,3-dicyano-1'-[(4-methoxyphenyl)methyl]-5-naphthalen-2-yl-2'-oxospiro[cyclopentene-4,3'-indole]-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@@](C(=O)N2)(CC(=O)C)C(C#N)C#N)C

DOS

IR

Vibrations