Geometry & MOs

Info

ID:	121547
PubChem CID:	50773058
Reduced:	SN5O5C26H31 (1)
Stoich.:	AB5C5D26E31 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	7.98
IP(EA), eV:	-8.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(1,3-benzodioxol-5-yl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)CC(=O)NC(C)C

DOS

IR

Vibrations