Geometry & MOs

Info

ID:	185105
PubChem CID:	77255768
Reduced:	N2O5C29H52 (1)
Stoich.:	A2B5C29D52 (1)
Weight, g/mol:	452.325023
ΔH_f, kcal/mol:	-291.42
Dipole, Da:	4.16
IP(EA), eV:	-8.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[11-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]undecyl]carbamate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(CNCCCCCCCCCCCNC(=O)OC(C)(C)C)O)CO

DOS

IR

Vibrations