Geometry & MOs

Info

ID:	155176
PubChem CID:	56320922
Reduced:	SN2F3O3H17C21 (1)
Stoich.:	AB2C3D3E17F21 (1)
Weight, g/mol:	412.118985
ΔH_f, kcal/mol:	-187.23
Dipole, Da:	3.99
IP(EA), eV:	-8.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-methyl-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CSC(=N3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations