Geometry & MOs

Info

ID:	404827
PubChem CID:	135071375
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	475.18173
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	3.17
IP(EA), eV:	-9.0(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,8-diphenyloct-7-yn-3-yl(methylsulfonyl)amino] benzoate

Drug info:

PubChemData

Smile

CC(=O)O/N=C(\CC=C)/C1=CC=CC=C1OC

DOS

IR

Vibrations