Geometry & MOs

Info

ID:	312582
PubChem CID:	126606558
Reduced:	SN3O4C14H27 (1)
Stoich.:	AB3C4D14E27 (1)
Weight, g/mol:	309.09139
ΔH_f, kcal/mol:	-193.78
Dipole, Da:	0.95
IP(EA), eV:	-9.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,7R,7aR)-2-[chloro(ethyl)amino]-5-(ethylaminomethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Drug info:

PubChemData

Smile

CCCN(C)C(=N)SC1C[C@H](C[C@H](O1)COC(=O)NCC)O

DOS

IR

Vibrations