Geometry & MOs

Info

ID:	61780
PubChem CID:	26712891
Reduced:	BrN2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	431.08445
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	7.27
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C)OC

DOS

IR

Vibrations