Geometry & MOs

Info

ID:

176205

PubChem CID:

76009096

Reduced:

N30O33C123H214 (1)

Stoich.:

A30B33C123D214 (1)

Weight, g/mol:

325.067501

ΔHf, kcal/mol:

-1655.04

Dipole, Da:

31.57

IP(EA), eV:

 -7.58(-2.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[4-(2-hydroxyethyl)triazol-1-yl]oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCCCC=C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCNC)NC(=O)C(CCCCCC=C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C

DOS

IR

Vibrations