Geometry & MOs

Info

ID:	245013
PubChem CID:	99432138
Reduced:	F3N5O5H18C22 (1)
Stoich.:	A3B5C5D18E22 (1)
Weight, g/mol:	458.151158
ΔH_f, kcal/mol:	-211.07
Dipole, Da:	4.31
IP(EA), eV:	-9.38(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)OC)C(F)(F)F

DOS

IR

Vibrations