Geometry & MOs

Info

ID:	218027
PubChem CID:	85088765
Reduced:	P2O7C18H32 (1)
Stoich.:	A2B7C18D32 (1)
Weight, g/mol:	422.100854
ΔH_f, kcal/mol:	-425.2
Dipole, Da:	8.8
IP(EA), eV:	-9.22(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCCC(=CCOP(=O)(O)OP(=O)(O)O)C1CC1)C)C

DOS

IR

Vibrations