Geometry & MOs

Info

ID:	157660
PubChem CID:	56436355
Reduced:	SN2O6C20H28 (1)
Stoich.:	AB2C6D20E28 (1)
Weight, g/mol:	422.09681
ΔH_f, kcal/mol:	-265.73
Dipole, Da:	6.68
IP(EA), eV:	-9.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[2-(4-chloropyrazol-1-yl)propyl]-1,3-thiazol-4-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)N(C)CCCC(=O)OC(C)(C)C

DOS

IR

Vibrations