Geometry & MOs

Info

ID:	197881
PubChem CID:	79010481
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-155.03
Dipole, Da:	7.32
IP(EA), eV:	-8.96(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C)C(=O)N[C@H](C(C)C)C(=O)O

DOS

IR

Vibrations