Geometry & MOs

Info

ID:	216925
PubChem CID:	85086995
Reduced:	ClOSN4H13C14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	316.00989
ΔH_f, kcal/mol:	41.25
Dipole, Da:	8.14
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromophenyl)-4-phenyloxolan-2-one

Drug info:

PubChemData

Smile

CSC1=C(C(=O)NC2N1NC(C2)C3=CC=C(C=C3)Cl)C#N

DOS

IR

Vibrations