Geometry & MOs

Info

ID:	33099
PubChem CID:	7851037
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	4.49
IP(EA), eV:	-8.88(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)OC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations