Geometry & MOs

Info

ID:	313012
PubChem CID:	126610766
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	364.98336
ΔH_f, kcal/mol:	-51.23
Dipole, Da:	5.4
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[(3-bromophenyl)-(3,5-dihydroxyphenyl)methylidene]amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=C2[N+](=O)[O-])OCOC

DOS

IR

Vibrations