Geometry & MOs

Info

ID:	155927
PubChem CID:	56368326
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	446.152495
ΔH_f, kcal/mol:	32.48
Dipole, Da:	2.23
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-3-(6-methyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)NCC3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations