Geometry & MOs

Info

ID:	165822
PubChem CID:	74601705
Reduced:	NO4C6H13 (1)
Stoich.:	AB4C6D13 (1)
Weight, g/mol:	443.290983
ΔH_f, kcal/mol:	-184.82
Dipole, Da:	5.68
IP(EA), eV:	-9.97(1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylmethoxyphenyl)butyl]-(2-methylpropyl)azanium

Drug info:

PubChemData

Smile

COC1C(C(C(CN1)O)O)O

DOS

IR

Vibrations