Geometry & MOs

Info

ID:	424365
PubChem CID:	135122414
Reduced:	BrNSO2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	574.246121
ΔH_f, kcal/mol:	-19.96
Dipole, Da:	4.56
IP(EA), eV:	-10.1(-0.7)
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-morpholin-4-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2C=CC(=N2)Br

DOS

IR

Vibrations