Geometry & MOs

Info

ID:	381917
PubChem CID:	134972781
Reduced:	ClNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	4.49
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2-tert-butyl-5-[(2-chloro-6-nitrophenyl)methyl]-5-phenyl-1,3-dioxolan-4-one

Drug info:

PubChemData

Smile

C1C2=C(C(=CC=C2)Cl)NC(=O)[C@]1(C3=CC=CC=C3)O

DOS

IR

Vibrations