Geometry & MOs

Info

ID:	307716
PubChem CID:	125308557
Reduced:	SO4N9H27C30 (1)
Stoich.:	AB4C9D27E30 (1)
Weight, g/mol:	393.191323
ΔH_f, kcal/mol:	88.01
Dipole, Da:	9.28
IP(EA), eV:	-8.34(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4H-imidazol-5-yl)ethyl]carbamimidoyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)N=C(NC2=CC=CC=C2)NC3=NC(=O)CC(=N3)CSC4=NN=NN4C5=CC=CC=C5)OC

DOS

IR

Vibrations