Geometry & MOs

Info

ID:	390693
PubChem CID:	135000395
Reduced:	NPO7C17H18 (1)
Stoich.:	ABC7D17E18 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-183.02
Dipole, Da:	5.35
IP(EA), eV:	-9.06(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(S)-tert-butylsulfinyl]-2-ethenyl-3-(4-nitrophenyl)aziridine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@]2([C@@H](O2)C3=CC=C(C=C3)[N+](=O)[O-])P(=O)(OC)OC

DOS

IR

Vibrations