Geometry & MOs

Info

ID:	1392
PubChem CID:	4300
Reduced:	ClIO2N3H13C15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	428.9741
ΔH_f, kcal/mol:	-22.01
Dipole, Da:	8.5
IP(EA), eV:	-9.17(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamimidoyl-3-chlorophenyl)-2-hydroxy-3-iodo-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)I)O)C(=O)NC2=CC(=C(C=C2)C(=N)N)Cl

DOS

IR

Vibrations