Geometry & MOs

Info

ID:	422936
PubChem CID:	135118652
Reduced:	ClSN4O4C12H19 (1)
Stoich.:	ABC4D4E12F19 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	4.46
IP(EA), eV:	-9.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations