Geometry & MOs

Info

ID:	182489
PubChem CID:	76894151
Reduced:	SN2O3C10H20 (1)
Stoich.:	AB2C3D10E20 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-150.63
Dipole, Da:	3.9
IP(EA), eV:	-8.86(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-propan-2-ylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)O)C(=O)C(CCSC)N

DOS

IR

Vibrations