Geometry & MOs

Info

ID:	44040
PubChem CID:	10500597
Reduced:	NSeS2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	390.201553
ΔH_f, kcal/mol:	74.73
Dipole, Da:	2.84
IP(EA), eV:	-8.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]carbamate

Drug info:

PubChemData

Smile

CC(CC1C2=C(C=CS2)NC3=C1SC=C3)[Se]C4=CC=CC=C4

DOS

IR

Vibrations