Geometry & MOs

Info

ID:	322738
PubChem CID:	126670949
Reduced:	ClO3N6H29C30 (1)
Stoich.:	AB3C6D29E30 (1)
Weight, g/mol:	387.84572
ΔH_f, kcal/mol:	2.06
Dipole, Da:	9.09
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-diiodo-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](C[C@@]5(C4C5)C)C(=O)NCC6=CC(=CC=C6)Cl

DOS

IR

Vibrations