Geometry & MOs

Info

ID:	140071
PubChem CID:	52640930
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	445.086305
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	3.56
IP(EA), eV:	-8.33(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(C)C(=O)NCCCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations