Geometry & MOs

Info

ID:	271349
PubChem CID:	103655232
Reduced:	OS2N3H7C12 (1)
Stoich.:	AB2C3D7E12 (1)
Weight, g/mol:	405.91777
ΔH_f, kcal/mol:	118.72
Dipole, Da:	3.53
IP(EA), eV:	-9.11(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(1-cyano-2-methylpropyl)-2-iodobenzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CC2=NOC(=N2)C3=C(C=CS3)C#N

DOS

IR

Vibrations