Geometry & MOs

Info

ID:	184701
PubChem CID:	77194824
Reduced:	NO2C23H41 (1)
Stoich.:	AB2C23D41 (1)
Weight, g/mol:	444.193023
ΔH_f, kcal/mol:	-143.45
Dipole, Da:	2.48
IP(EA), eV:	-8.75(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 2-acetamido-6-(3-ethoxy-4-methoxyphenyl)-4-methyl-7-methylsulfonylheptanoate

Drug info:

PubChemData

Smile

CC1(CCC(CC1O)O)C2CCC3C(C2CNCC(C)(C)C)CCC3=C

DOS

IR

Vibrations