Geometry & MOs

Info

ID:	140026
PubChem CID:	52633372
Reduced:	O2F3N5C24H24 (1)
Stoich.:	A2B3C5D24E24 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	-176.2
Dipole, Da:	5.27
IP(EA), eV:	-8.72(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-(cyclopropylcarbamoylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CC=NC=C2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCCC4

DOS

IR

Vibrations