Geometry & MOs

Info

ID:	135237
PubChem CID:	51838289
Reduced:	NO2C15H19 (2)
Stoich.:	AB2C15D19 (2)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-125.82
Dipole, Da:	5.83
IP(EA), eV:	-8.69(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]([C@H](C)C1=CC=CC=C1)N(CC2=CC=C(O2)C)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations