Geometry & MOs

Info

ID:	85766
PubChem CID:	49878913
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	434.187339
ΔH_f, kcal/mol:	19.57
Dipole, Da:	4.17
IP(EA), eV:	-8.36(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[N-(3-chloro-2-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C1=CC(=O)N2C3=CC=CC=C3N=C2S1)C4=CC=CC=C4

DOS

IR

Vibrations