Geometry & MOs

Info

ID:	307195
PubChem CID:	125275709
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	282.085186
ΔH_f, kcal/mol:	-21.17
Dipole, Da:	4.88
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-2-acetamido-3-hydroxy-3-(3-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(CN=N2)/C=N\NC(=O)C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations