Geometry & MOs

Info

ID:	157359
PubChem CID:	56423119
Reduced:	FSO3N5H18C21 (1)
Stoich.:	ABC3D5E18F21 (1)
Weight, g/mol:	485.119147
ΔH_f, kcal/mol:	-74.15
Dipole, Da:	1.56
IP(EA), eV:	-9.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NCC2=NC(=CS2)C3=CC=NC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations