Geometry & MOs

Info

ID:	135132
PubChem CID:	51819583
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	3.15
IP(EA), eV:	-8.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC=CC=C1OC)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

DOS

IR

Vibrations