Geometry & MOs

Info

ID:	154412
PubChem CID:	56313843
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	467.108582
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	4.17
IP(EA), eV:	-8.87(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyanopyridin-2-yl)piperazine-1-carbonyl]-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)CC4=CC=CC=C4

DOS

IR

Vibrations