Geometry & MOs

Info

ID:	177779
PubChem CID:	76229894
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	375.060152
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	2.82
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3-[(4-oxo-1H-phthalazine-1-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

CCC(C)C(C)NC(=O)C1CC2=CC=CC=C2N1

DOS

IR

Vibrations