Geometry & MOs

Info

ID:	169535
PubChem CID:	75117725
Reduced:	SN3O6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	421.062983
ΔH_f, kcal/mol:	-137.33
Dipole, Da:	6.76
IP(EA), eV:	-8.66(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dichlorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]propanamide

Drug info:

PubChemData

Smile

COC1C=C2C(=NC(=NC2=O)CSCCNC(=O)C3=CC4=C(C=C3)OCCCO4)C=C1OC

DOS

IR

Vibrations