Geometry & MOs

Info

ID:	38475
PubChem CID:	8122382
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	389.040104
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	1.98
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)CNC(=O)C3=CC=CO3

DOS

IR

Vibrations