Geometry & MOs

Info

ID:	26505
PubChem CID:	650578
Reduced:	SO2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	491.196883
ΔH_f, kcal/mol:	-15.98
Dipole, Da:	4.34
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N2CCOCC2)CC3=CC=CC=C3

DOS

IR

Vibrations