Geometry & MOs

Info

ID:	325935
PubChem CID:	126685660
Reduced:	OSC15H16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	396.153266
ΔH_f, kcal/mol:	-24.74
Dipole, Da:	1.25
IP(EA), eV:	-8.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (1R,3S)-2-amino-1,3-dihydroxy-5-(4-nitrophenyl)cyclohexane-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=C(S3)C)C(O2)(C)C

DOS

IR

Vibrations