Geometry & MOs

Info

ID:	140809
PubChem CID:	52765408
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	3.94
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[3-(2,3-dimethylphenoxy)propanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations