Geometry & MOs

Info

ID:	184836
PubChem CID:	77217381
Reduced:	SCl2N2O2C17H18 (1)
Stoich.:	AB2C2D2E17F18 (1)
Weight, g/mol:	780.434967
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	1.85
IP(EA), eV:	-9.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N',1-N'-bis[1-hydroxy-1,1-bis(2-methoxyphenyl)-3,3-dimethylbutan-2-yl]cyclopentane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)NCS(=O)(=O)N

DOS

IR

Vibrations