Geometry & MOs

Info

ID:	49992
PubChem CID:	11538630
Reduced:	FN2O4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	402.146072
ΔH_f, kcal/mol:	-181.24
Dipole, Da:	7.77
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)OC)C#N)C)CC(C)OC

DOS

IR

Vibrations