Geometry & MOs

Info

ID:	235135
PubChem CID:	92304106
Reduced:	N2S2O4C9H12 (1)
Stoich.:	A2B2C4D9E12 (1)
Weight, g/mol:	234.11907
ΔH_f, kcal/mol:	-158.85
Dipole, Da:	6.45
IP(EA), eV:	-9.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,10E)-4,5,8,9,12,13-hexahydrocyclododeca[d][1,3]thiazol-2-amine

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@@H](O2)CO)S)S

DOS

IR

Vibrations