Geometry & MOs

Info

ID:	193135
PubChem CID:	78349900
Reduced:	S2N4O6C33H44 (1)
Stoich.:	A2B4C6D33E44 (1)
Weight, g/mol:	388.152889
ΔH_f, kcal/mol:	-253.41
Dipole, Da:	10.34
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[[5-(6-amino-3,6,7,8-tetrahydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CC1C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(N3)CC4C(=C(C(=O)N4)C(C)S)C)C)CCC(=O)O)CCC(=O)O)C)NC1=O)C(C)S

DOS

IR

Vibrations