Geometry & MOs

Info

ID:

326121

PubChem CID:

126686599

Reduced:

O2N7C26H29 (1)

Stoich.:

A2B7C26D29 (1)

Weight, g/mol:

345.135842

ΔHf, kcal/mol:

32.34

Dipole, Da:

4.51

IP(EA), eV:

 -8.72(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-pyrrolidin-1-yl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethyl-methylcarbamic acid

Drug info:

PubChemData

Smile

C1C[C@@H](C2=C(C1)C=CC=N2)N(CCCCNC(=O)OC3=NC=CN=C3)CC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations