Geometry & MOs

Info

ID:	176868
PubChem CID:	76106815
Reduced:	I3N4O7C24H33 (1)
Stoich.:	A3B4C7D24E33 (1)
Weight, g/mol:	332.096141
ΔH_f, kcal/mol:	-254.37
Dipole, Da:	7.26
IP(EA), eV:	-9.15(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-diamino-1-chloro-1-(4-methylphenyl)sulfonylheptan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCCN)N(CC(C)OC(=O)C)C(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

DOS

IR

Vibrations