Geometry & MOs

Info

ID:	149604
PubChem CID:	53789278
Reduced:	NOS2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	34.26
Dipole, Da:	3.3
IP(EA), eV:	-9.28(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-(1,3-dioxoisoindol-2-yl)-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=S)OCSC#N

DOS

IR

Vibrations