Geometry & MOs

Info

ID:	405756
PubChem CID:	135075307
Reduced:	NSO6C16H21 (1)
Stoich.:	ABC6D16E21 (1)
Weight, g/mol:	351.08339
ΔH_f, kcal/mol:	-246.23
Dipole, Da:	4.67
IP(EA), eV:	-10.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[(E)-4-(4-bromophenyl)but-3-enyl]aziridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC/C=C\CCCOC(=O)C

DOS

IR

Vibrations