Geometry & MOs

Info

ID:	130714
PubChem CID:	51095288
Reduced:	SN2O6H12C15 (1)
Stoich.:	AB2C6D12E15 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-186.61
Dipole, Da:	8.94
IP(EA), eV:	-9.75(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)O

DOS

IR

Vibrations