Geometry & MOs

Info

ID:	175577
PubChem CID:	75924416
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	472.234865
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	8.77
IP(EA), eV:	-7.92(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-[[3-(1,4-dioxo-4a,5,8,8a-tetrahydro-3H-phthalazin-2-yl)benzoyl]amino]indol-1-yl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CCC(=O)NC3=CC4=C(C=C3)N(C=C4)CCN(C)C)C

DOS

IR

Vibrations