Geometry & MOs

Info

ID:	144391
PubChem CID:	53359981
Reduced:	BBrN2O4H12C14 (1)
Stoich.:	ABC2D4E12F14 (1)
Weight, g/mol:	445.112795
ΔH_f, kcal/mol:	-195.31
Dipole, Da:	9.13
IP(EA), eV:	-9.54(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[(E)-[2-imidazol-1-yl-1-(4-phenylphenyl)ethylidene]amino]thiourea

Drug info:

PubChemData

Smile

[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC4=CC=CC=C4N=C3Br

DOS

IR

Vibrations