Geometry & MOs

Info

ID:	66372
PubChem CID:	46504463
Reduced:	SN3O4C28H33 (1)
Stoich.:	AB3C4D28E33 (1)
Weight, g/mol:	606.349129
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	3.71
IP(EA), eV:	-9.14(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C(C1=CC=C(C=C1)C)N(CC2=CC=CS2)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations