Geometry & MOs

Info

ID:	381898
PubChem CID:	134972760
Reduced:	ClNO5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-180.24
Dipole, Da:	2.28
IP(EA), eV:	-9.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(C(=NO1)CC(C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations