Geometry & MOs

Info

ID:	174172
PubChem CID:	75734262
Reduced:	O2N3C29H43 (1)
Stoich.:	A2B3C29D43 (1)
Weight, g/mol:	492.193023
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	5.82
IP(EA), eV:	-8.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-methylphenyl)sulfonylmethylamino]-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-propylpentanamide

Drug info:

PubChemData

Smile

CCCN(C(C1=CC=C(C=C1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)CC2=CC=CC=C2

DOS

IR

Vibrations