Geometry & MOs

Info

ID:	387261
PubChem CID:	134984631
Reduced:	ClNSiC23H30 (1)
Stoich.:	ABCD23E30 (1)
Weight, g/mol:	391.133907
ΔH_f, kcal/mol:	32.19
Dipole, Da:	3.31
IP(EA), eV:	-8.59(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-1-benzhydryl-3-(4-chlorophenyl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)[C@@]1([C@@H](N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC=C

DOS

IR

Vibrations