Geometry & MOs

Info

ID:	387077
PubChem CID:	134983891
Reduced:	NSO3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	325.204179
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	6.27
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3S)-1-hexyl-3-naphthalen-2-ylaziridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)[C@]1(CCCC[C@@H]1NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations