Geometry & MOs

Info

ID:	154711
PubChem CID:	56314218
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	456.128983
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	6.01
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations