Geometry & MOs

Info

ID:	36627
PubChem CID:	8010084
Reduced:	OSN5H15C16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	377.074465
ΔH_f, kcal/mol:	62.39
Dipole, Da:	5.48
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)N

DOS

IR

Vibrations