Geometry & MOs

Info

ID:	405272
PubChem CID:	135073321
Reduced:	OF3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	346.062343
ΔH_f, kcal/mol:	-142.46
Dipole, Da:	5.06
IP(EA), eV:	-9.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-nitro-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

C/C(=C\C(=O)C1=CC=C(C=C1)C(F)(F)F)/C2=CC=CC=C2

DOS

IR

Vibrations