Geometry & MOs

Info

ID:	79573
PubChem CID:	49829546
Reduced:	SO2N5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	429.147075
ΔH_f, kcal/mol:	46.71
Dipole, Da:	9.52
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-7a-methyl-5-oxo-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=CC(=NO3)C)CC4=CC=CC=C4)C

DOS

IR

Vibrations