Geometry & MOs

Info

ID:	143640
PubChem CID:	53241278
Reduced:	ClOSN3C21H24 (1)
Stoich.:	ABCD3E21F24 (1)
Weight, g/mol:	523.06642
ΔH_f, kcal/mol:	26.8
Dipole, Da:	6.16
IP(EA), eV:	-8.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 1-phenylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN(CC1=CC=CC=C1Cl)C2=NNC(=C3C=C(C(=O)C(=C3)C)C)S2

DOS

IR

Vibrations