Geometry & MOs

Info

ID:	63413
PubChem CID:	26758278
Reduced:	ClSO3N5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	401.068156
ΔH_f, kcal/mol:	-11.58
Dipole, Da:	2.83
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C=CCN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations