Geometry & MOs

Info

ID:	61335
PubChem CID:	26708243
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-142.29
Dipole, Da:	3.37
IP(EA), eV:	-9.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations