Geometry & MOs

Info

ID:	402193
PubChem CID:	135054859
Reduced:	PO3H33C38 (1)
Stoich.:	AB3C33D38 (1)
Weight, g/mol:	618.174596
ΔH_f, kcal/mol:	-53.65
Dipole, Da:	5.3
IP(EA), eV:	-8.91(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-[(1S)-4,4-bis(benzenesulfonyl)-2-methylidenecyclopentyl]-phenylmethyl]-1,3,5-trimethoxybenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P(=O)(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)C(=O)OC)C6=CC(=CC(=C6)C)C)C

DOS

IR

Vibrations