Geometry & MOs

Info

ID:	179577
PubChem CID:	76502315
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	348.14337
ΔH_f, kcal/mol:	-197.96
Dipole, Da:	4.64
IP(EA), eV:	-9.04(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-3-(2-aminoacetyl)oxypropanoyl] 2-amino-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1)O)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations