Geometry & MOs

Info

ID:	64513
PubChem CID:	29202740
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	447.248169
ΔH_f, kcal/mol:	-104.94
Dipole, Da:	4.31
IP(EA), eV:	-9.11(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)C=C(S2)C(=O)NCCCOC

DOS

IR

Vibrations