Geometry & MOs

Info

ID:	243800
PubChem CID:	99239702
Reduced:	N2O4H28C29 (1)
Stoich.:	A2B4C28D29 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	2.78
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C1=CC=CC=C1)NC(=O)CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations