Geometry & MOs

Info

ID:	143037
PubChem CID:	53136322
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	370.119654
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	4.71
IP(EA), eV:	-9.11(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=O)CSC2=C1C(=O)N(N=C2)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations