Geometry & MOs

Info

ID:	62524
PubChem CID:	26719833
Reduced:	O2S2N3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	356.06532
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	6.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.839215
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=CNC3=[N+](C2=O)C=CS3

DOS

IR

Vibrations