Geometry & MOs

Info

ID:	160340
PubChem CID:	57309688
Reduced:	N2O3C37H52 (1)
Stoich.:	A2B3C37D52 (1)
Weight, g/mol:	308.063779
ΔH_f, kcal/mol:	-128.52
Dipole, Da:	2.57
IP(EA), eV:	-9.14(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(4-methylsulfonylphenyl)-2-propylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C(=O)OC[C@H](C)OCCCCC[C@@H](C)CC

DOS

IR

Vibrations