Geometry & MOs

Info

ID:	326119
PubChem CID:	126686589
Reduced:	N5C21H25 (1)
Stoich.:	A5B21C25 (1)
Weight, g/mol:	331.120192
ΔH_f, kcal/mol:	76.37
Dipole, Da:	4.33
IP(EA), eV:	-8.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aR,5R,6S,7R,7aR)-2-(azetidin-1-yl)-6,7-dihydroxy-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)NC(CC3=NC4=CC=CC=C4N3)/C=C/CN

DOS

IR

Vibrations