Geometry & MOs

Info

ID:	404078
PubChem CID:	135064836
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	296.027393
ΔH_f, kcal/mol:	-127.83
Dipole, Da:	3.01
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-1-(3-chlorophenyl)ethanol

Drug info:

PubChemData

Smile

C[C@H](CC1=CN(C=N1)C(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations