Geometry & MOs

Info

ID:	32435
PubChem CID:	7835955
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	400.072907
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	3.27
IP(EA), eV:	-9.15(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations