Geometry & MOs

Info

ID:	424362
PubChem CID:	135122402
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	532.235556
ΔH_f, kcal/mol:	-146.04
Dipole, Da:	2.69
IP(EA), eV:	-9.53(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-2-methylpropyl] 4-(dimethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCOC(=O)C4=CC=C(C=C4)C=O

DOS

IR

Vibrations