Geometry & MOs

Info

ID:	218255
PubChem CID:	85089095
Reduced:	ClSN2O2C24H27 (1)
Stoich.:	ABC2D2E24F27 (1)
Weight, g/mol:	443.153994
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	1.91
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]carbamoyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(CC3=C(C=CS3)C)C(=O)OC

DOS

IR

Vibrations