Geometry & MOs

Info

ID:	366444
PubChem CID:	127319933
Reduced:	SN3O3C19H37 (1)
Stoich.:	AB3C3D19E37 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-154.29
Dipole, Da:	4.12
IP(EA), eV:	-8.44(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C(C)C)C(=O)NCC(C)(C)N2CCS(=O)CC2

DOS

IR

Vibrations