Geometry & MOs

Info

ID:	59408
PubChem CID:	24855597
Reduced:	BrO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	410.993521
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	5.9
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)Br)OC)OC

DOS

IR

Vibrations