Geometry & MOs

Info

ID:	62011
PubChem CID:	26716968
Reduced:	S2N4O4C23H28 (1)
Stoich.:	A2B4C4D23E28 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-117.99
Dipole, Da:	4.76
IP(EA), eV:	-8.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=C(C(=CC(=C2)C(=O)NN3C=NC4=C(C3=O)C(=C(S4)C)C)C)C

DOS

IR

Vibrations