Geometry & MOs

Info

ID:	10303
PubChem CID:	100083
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-196.53
Dipole, Da:	7.15
IP(EA), eV:	-9.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)NCC(=O)O)NC(=O)CN)O

DOS

IR

Vibrations