Geometry & MOs

Info

ID:	34836
PubChem CID:	7978987
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	381.125946
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	2.59
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations