Geometry & MOs

Info

ID:	406681
PubChem CID:	135078339
Reduced:	PWO5H7C11 (1)
Stoich.:	ABC5D7E11 (1)
Weight, g/mol:	383.155515
ΔH_f, kcal/mol:	-21.52
Dipole, Da:	2.38
IP(EA), eV:	-6.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-methyl-N-(3-methylbut-2-enyl)benzenesulfonamide

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P.[W]

DOS

IR

Vibrations