Geometry & MOs

Info

ID:	121560
PubChem CID:	50773307
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	443.232125
ΔH_f, kcal/mol:	-76.36
Dipole, Da:	3.63
IP(EA), eV:	-8.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[N-(4-butan-2-ylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations