Geometry & MOs

Info

ID:	36411
PubChem CID:	8006094
Reduced:	O4N5H19C22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	391.019368
ΔH_f, kcal/mol:	-28.97
Dipole, Da:	3.6
IP(EA), eV:	-8.54(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=NC=N3)OCC(=O)NC4=CC5=C(C=C4)OCO5)C

DOS

IR

Vibrations