Geometry & MOs

Info

ID:	176333
PubChem CID:	76035073
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	555.313078
ΔH_f, kcal/mol:	-42.33
Dipole, Da:	3.94
IP(EA), eV:	-8.96(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-[4-[benzenesulfonyl(methyl)amino]-3-methyl-3-phenylbutyl]-1,8-diazaspiro[4.5]decane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)N)C5CC6CCOC6O5

DOS

IR

Vibrations