Geometry & MOs

Info

ID:	391593
PubChem CID:	135006792
Reduced:	ClN2O6C28H37 (1)
Stoich.:	AB2C6D28E37 (1)
Weight, g/mol:	548.288637
ΔH_f, kcal/mol:	-198.61
Dipole, Da:	2.5
IP(EA), eV:	-9.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-di(propan-2-yl)phenyl] (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-2-ylmethyl]-2-nitrobutanoate

Drug info:

PubChemData

Smile

CC[C@](C(C1=CC=C(C=C1)Cl)NC(=O)OC(C)(C)C)(C(=O)OC2=C(C=CC=C2C(C)C)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations