Geometry & MOs

Info

ID:	84946
PubChem CID:	49870866
Reduced:	NO4C23H45 (1)
Stoich.:	AB4C23D45 (1)
Weight, g/mol:	478.228831
ΔH_f, kcal/mol:	-280.93
Dipole, Da:	3.1
IP(EA), eV:	-10.34(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-ylidene]hexanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC(C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations