Geometry & MOs

Info

ID:	38690
PubChem CID:	8137661
Reduced:	SN2O6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-203.78
Dipole, Da:	7.52
IP(EA), eV:	-8.54(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-tert-butylphenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC

DOS

IR

Vibrations