Geometry & MOs

Info

ID:	343069
PubChem CID:	127266242
Reduced:	ClF3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-113.56
Dipole, Da:	5.77
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-(1-hydroxybut-3-yn-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CNC(C)C2=C(N=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations