Geometry & MOs

Info

ID:	311734
PubChem CID:	126597594
Reduced:	O2N3C10H11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	319.120192
ΔH_f, kcal/mol:	-55.66
Dipole, Da:	4.55
IP(EA), eV:	-8.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)OC1=CNC2=NC=C(N=C12)C3=NN(C4=C3C=CC(=C4)OC)C

DOS

IR

Vibrations