Geometry & MOs

Info

ID:	174391
PubChem CID:	75760169
Reduced:	N2O3C29H32 (1)
Stoich.:	A2B3C29D32 (1)
Weight, g/mol:	512.198108
ΔH_f, kcal/mol:	-70.41
Dipole, Da:	6.66
IP(EA), eV:	-8.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC2=CC=CC=C2C3=CC=CC=C31)N(CC4=CC=C(O4)C)C(=O)CC

DOS

IR

Vibrations