Geometry & MOs

Info

ID:	218218
PubChem CID:	85089040
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	439.272259
ΔH_f, kcal/mol:	-73.11
Dipole, Da:	2.58
IP(EA), eV:	-9.64(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-amino-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-2,14-diene-6,2'-oxane]-10,16-dione

Drug info:

PubChemData

Smile

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CSC=N3)C#N)C(=O)O

DOS

IR

Vibrations