Geometry & MOs

Info

ID:	38713
PubChem CID:	8137805
Reduced:	N2S2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	407.115107
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	3.84
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations