Geometry & MOs

Info

ID:	387122
PubChem CID:	134984092
Reduced:	S2N5O6C23H29 (1)
Stoich.:	A2B5C6D23E29 (1)
Weight, g/mol:	317.073805
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	4.3
IP(EA), eV:	-9.45(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-but-3-enyl-1,3-bis(4-chlorophenyl)aziridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCC[C@H]2[C@H](N2S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C)N)C

DOS

IR

Vibrations