Geometry & MOs

Info

ID:	60285
PubChem CID:	26676106
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	477.102624
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	4.39
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethyl]-3-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\OCC(=O)NCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations