Geometry & MOs

Info

ID:	205301
PubChem CID:	80082876
Reduced:	NOCl2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	408.83614
ΔH_f, kcal/mol:	-67.12
Dipole, Da:	2.77
IP(EA), eV:	-9.06(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3-bromo-4-chlorophenyl)-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNCCOC)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations