Geometry & MOs

Info

ID:	437602
PubChem CID:	135226649
Reduced:	N5O5C27H33 (1)
Stoich.:	A5B5C27D33 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	4.83
IP(EA), eV:	-8.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-4-cyclohexa-2,4-dien-1-yl-2-oxo-1,3-oxazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=O)N(N=C(N1)C2=CC=C(C=C2)C(=O)OCCCN3C(=O)C4C5CC(C4C3=O)C=C5)C(C)C

DOS

IR

Vibrations