Geometry & MOs

Info

ID:	397971
PubChem CID:	135031194
Reduced:	ClN2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	354.02152
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	5.25
IP(EA), eV:	-9.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(4-bromophenyl)-2-nitroethyl]-4-propan-2-yl-2H-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(OC1=O)[C@@H](C[N+](=O)[O-])C2=CC=C(C=C2)Cl

DOS

IR

Vibrations