Geometry & MOs

Info

ID:	147787
PubChem CID:	53787445
Reduced:	O3C17H18 (2)
Stoich.:	A3B17C18 (2)
Weight, g/mol:	370.127503
ΔH_f, kcal/mol:	-183.85
Dipole, Da:	4.65
IP(EA), eV:	-9.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)but-2-ene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)[C@](CC2=CC=CC=C2)([C@](CC3=CC=CC=C3)([C@@](CC4=CC=CC=C4)([C@@H](CO)O)O)O)O

DOS

IR

Vibrations