Geometry & MOs

Info

ID:	188816
PubChem CID:	77770451
Reduced:	SN3O7C25H43 (1)
Stoich.:	AB3C7D25E43 (1)
Weight, g/mol:	510.309372
ΔH_f, kcal/mol:	-291.67
Dipole, Da:	3.93
IP(EA), eV:	-9.3(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 8-amino-2,5-dibenzyl-8-carbamoyl-3-hydroxy-9-methyl-6-oxodecanoate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(CCC(C)C)(C(=O)N2CCCCC2)C(=O)O.NO

DOS

IR

Vibrations