Geometry & MOs

Info

ID:	182490
PubChem CID:	76894152
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	324.081364
ΔH_f, kcal/mol:	-173.98
Dipole, Da:	2.54
IP(EA), eV:	-9.07(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-4-methylsulfanylbutanoyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)O)C(=O)C(CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations