Geometry & MOs

Info

ID:	148884
PubChem CID:	53788554
Reduced:	N2S2O9C12H22 (1)
Stoich.:	A2B2C9D12E22 (1)
Weight, g/mol:	340.145678
ΔH_f, kcal/mol:	-390.26
Dipole, Da:	5.38
IP(EA), eV:	-9.69(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[(2-methoxyphenyl)methylamino]acetyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)[C@H](CSSCC(C(=O)O)N)N)O)O)O)O

DOS

IR

Vibrations