Geometry & MOs

Info

ID:	383079
PubChem CID:	134974590
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	438.313395
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	5.61
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-(1-oxo-5-phenylmethoxypentan-2-yl)cyclopentane-1-carbaldehyde

Drug info:

PubChemData

Smile

C1C[C@]([C@H]1SC2=CC=CC=C2)(C(=O)O)N

DOS

IR

Vibrations