Geometry & MOs

Info

ID:	125593
PubChem CID:	50929400
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	3.86
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(furan-2-ylmethyl)-6-methyl-4-oxo-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[1-(4-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC(C)C3=CC=CC=C3)CC4=CC=CO4

DOS

IR

Vibrations