Geometry & MOs

Info

ID:	186446
PubChem CID:	77434487
Reduced:	N2O4C31H52 (1)
Stoich.:	A2B4C31D52 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-223.58
Dipole, Da:	3.14
IP(EA), eV:	-8.68(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-3-[2-amino-3-oxo-3-(2-phenylpropylamino)propyl]sulfanylpropyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(C)C(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O

DOS

IR

Vibrations