Geometry & MOs

Info

ID:	424366
PubChem CID:	135122415
Reduced:	SN4O7C28H38 (1)
Stoich.:	AB4C7D28E38 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-255.35
Dipole, Da:	9.37
IP(EA), eV:	-9.46(-1.42)
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-formylbenzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCCOC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations