Geometry & MOs

Info

ID:	424363
PubChem CID:	135122409
Reduced:	SN4O6C26H36 (1)
Stoich.:	AB4C6D26E36 (1)
Weight, g/mol:	496.26857
ΔH_f, kcal/mol:	-213.92
Dipole, Da:	1.7
IP(EA), eV:	-9.62(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)C[C@@H](C)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C

DOS

IR

Vibrations