Geometry & MOs

Info

ID:	133173
PubChem CID:	51487002
Reduced:	BrSN2O5C17H17 (1)
Stoich.:	ABC2D5E17F17 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-164.12
Dipole, Da:	6.71
IP(EA), eV:	-9.6(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations