Geometry & MOs

Info

ID:	405064
PubChem CID:	135072384
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	420.20893
ΔH_f, kcal/mol:	-92.37
Dipole, Da:	1.82
IP(EA), eV:	-8.35(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,7-triphenylhepta-1,6-diyn-3-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(=O)CCCC/C=N/[S@](=O)C(C)(C)C

DOS

IR

Vibrations