Geometry & MOs

Info

ID:	260965
PubChem CID:	103211461
Reduced:	BrISCl2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	414.95845
ΔH_f, kcal/mol:	42.39
Dipole, Da:	2.12
IP(EA), eV:	-9.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]-4-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(C2=CC(=C(C=C2)I)Cl)Cl)Br

DOS

IR

Vibrations