Geometry & MOs

Info

ID:	402229
PubChem CID:	135055061
Reduced:	NO7C32H37 (1)
Stoich.:	AB7C32D37 (1)
Weight, g/mol:	402.146072
ΔH_f, kcal/mol:	-209.92
Dipole, Da:	4.4
IP(EA), eV:	-8.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitro-5-phenylpentyl] methanesulfonate

Drug info:

PubChemData

Smile

C[C@H]1C=C([C@H]([C@]2([C@@H]1C(=O)OC(C)(C)C)C3=C(C=CC(=C3)OC)N(C2=O)C(=O)OC(C)(C)C)C4=CC=CC=C4)C=O

DOS

IR

Vibrations