Geometry & MOs

Info

ID:	60521
PubChem CID:	26697126
Reduced:	BrSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	4.54
IP(EA), eV:	-8.59(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(4-ethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations