Geometry & MOs

Info

ID:	405175
PubChem CID:	135072910
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	413.16608
ΔH_f, kcal/mol:	-15.67
Dipole, Da:	3.28
IP(EA), eV:	-9.39(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[methylsulfonyl(1-phenylnon-7-yn-3-yl)amino] benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C(=N/OC(=O)C)/CC=C

DOS

IR

Vibrations