Geometry & MOs

Info

ID:	159755
PubChem CID:	57288714
Reduced:	NCl2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-232.81
Dipole, Da:	2.82
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-2-[1,2-bis(4-hydroxyphenyl)propan-2-ylamino]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=C(C=C(C=C1)O)CC2=C(C=CC=C2Cl)Cl)C(=O)O

DOS

IR

Vibrations