Geometry & MOs

Info

ID:	406987
PubChem CID:	135079079
Reduced:	ClNOH16C21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	358.04159
ΔH_f, kcal/mol:	44.68
Dipole, Da:	4.16
IP(EA), eV:	-8.89(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-5-(2-bromo-3,4,5-trimethoxyphenyl)-3,4-dimethyloxolan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations