Geometry & MOs

Info

ID:	46745
PubChem CID:	10526884
Reduced:	N3O6C22H33 (1)
Stoich.:	A3B6C22D33 (1)
Weight, g/mol:	435.316871
ΔH_f, kcal/mol:	-294.16
Dipole, Da:	10.17
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-trimethylsilylethyl (2S,4aR,8aR)-8a-but-3-enyl-2-hexyl-4-oxo-3,4a,5,6,7,8-hexahydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NC(=O)CN

DOS

IR

Vibrations