Geometry & MOs

Info

ID:	28450
PubChem CID:	827702
Reduced:	NSO3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	3.35
IP(EA), eV:	-8.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,9S,10R,12R,16S,19R,20S)-20-methyl-8,15-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C#CC2=CC=CC=C2

DOS

IR

Vibrations