Geometry & MOs

Info

ID:	63813
PubChem CID:	26759237
Reduced:	ClSN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	450.065235
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	3.22
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations