Geometry & MOs

Info

ID:	263620
PubChem CID:	103383632
Reduced:	OSN4C15H26 (1)
Stoich.:	ABC4D15E26 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	7.22
IP(EA), eV:	-8.49(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)CNC2=C(C(=NS2)N)C(=O)NC

DOS

IR

Vibrations