Geometry & MOs

Info

ID:	122685
PubChem CID:	50817237
Reduced:	FO2S2N4H17C19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-27.87
Dipole, Da:	6.84
IP(EA), eV:	-9.3(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(2-ethoxyphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CS2)C3=NN=C(S3)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations