Geometry & MOs

Info

ID:	49581
PubChem CID:	11533305
Reduced:	N3O4H27C30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	493.162412
ΔH_f, kcal/mol:	-7.91
Dipole, Da:	3.81
IP(EA), eV:	-8.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[2-(tritylamino)-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC/C(=C\C2=CC=C(C=C2)C(=O)NO)/COC3=CC=CC4=C3NC5=CC=CC=C45

DOS

IR

Vibrations