Geometry & MOs

Info

ID:	378619
PubChem CID:	134224712
Reduced:	SO3N4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	435.230411
ΔH_f, kcal/mol:	-79.19
Dipole, Da:	2.33
IP(EA), eV:	-9.12(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-ethyl-5-methylsulfonyl-3-propan-2-yl-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-7-yl)propan-2-yl]-4,6-dihydro-1H-furo[3,4-c]pyrazole

Drug info:

PubChemData

Smile

CC(C)C1=NNC2=C1COCC(C2)CC(C)C3=NNC4=C3CS(=O)(=O)C4

DOS

IR

Vibrations