Geometry & MOs

Info

ID:	133382
PubChem CID:	51518281
Reduced:	SN3O7C22H29 (1)
Stoich.:	AB3C7D22E29 (1)
Weight, g/mol:	441.1536
ΔH_f, kcal/mol:	-281.52
Dipole, Da:	11.46
IP(EA), eV:	-9.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O

DOS

IR

Vibrations