Geometry & MOs

Info

ID:	449107
PubChem CID:	135296021
Reduced:	F2N7H21C24 (1)
Stoich.:	A2B7C21D24 (1)
Weight, g/mol:	163.0667
ΔH_f, kcal/mol:	84.69
Dipole, Da:	8.42
IP(EA), eV:	-9.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-methylsulfanylethylamino)acetate

Drug info:

PubChemData

Smile

CC1=NN(C=N1)C2=NC=CC(=N2)[C@]34CC[C@H](C3(C)C)C5=CC(=NN=C45)C6=C(C=CC=C6F)F

DOS

IR

Vibrations