Geometry & MOs

Info

ID:	272568
PubChem CID:	103747979
Reduced:	N2S2O4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	-94.05
Dipole, Da:	6.54
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CSCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations