Geometry & MOs

Info

ID:	393502
PubChem CID:	135020857
Reduced:	NO5H9C13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	367.98442
ΔH_f, kcal/mol:	-45.71
Dipole, Da:	4.24
IP(EA), eV:	-9.75(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodo-4-methylphenyl)-3-phenylthiourea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC(=O)C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations