Geometry & MOs

Info

ID:	448909
PubChem CID:	135294444
Reduced:	SN5C28H45 (1)
Stoich.:	AB5C28D45 (1)
Weight, g/mol:	479.16449
ΔH_f, kcal/mol:	9.09
Dipole, Da:	5.85
IP(EA), eV:	-8.63(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4R)-8-(1-amino-4-iodo-1-oxopentan-3-yl)-8-azaspiro[4.5]decan-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CSC(=C1)[C@H](CCN2C3CCC2CC(C3)N4C(=NN=C4C(C)C)C)NCC5CCCCC5

DOS

IR

Vibrations