Geometry & MOs

Info

ID:	395399
PubChem CID:	135025370
Reduced:	BrNO2C24H24 (1)
Stoich.:	ABC2D24E24 (1)
Weight, g/mol:	445.134779
ΔH_f, kcal/mol:	16.81
Dipole, Da:	2.23
IP(EA), eV:	-9.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-3-(benzenesulfonyl)-4-ethenyl-2-(4-methoxyphenyl)-4-phenyloxolane-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@@]1(C(OC[C@@]1(C=C)C2=CC=CC=C2)C3=CC=C(C=C3)Br)C#N

DOS

IR

Vibrations