Geometry & MOs

Info

ID:	194253
PubChem CID:	78503661
Reduced:	BrNO6C25H28 (1)
Stoich.:	ABC6D25E28 (1)
Weight, g/mol:	408.05071
ΔH_f, kcal/mol:	-212.76
Dipole, Da:	5.16
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C1C(=O)OCC3CCCO3)C4=CC5=C(C=C4Br)OCO5)C(=O)CC(C2)(C)C

DOS

IR

Vibrations