Geometry & MOs

Info

ID:	402232
PubChem CID:	135055080
Reduced:	NO4H35C38 (1)
Stoich.:	AB4C35D38 (1)
Weight, g/mol:	588.164031
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	4.6
IP(EA), eV:	-8.16(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-[(1S)-4,4-bis(benzenesulfonyl)-2-methylidenecyclopentyl]-phenylmethyl]-2,4-dimethoxybenzene

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@@H]([C@@H]3CC(CC3=C)(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations