Geometry & MOs

Info

ID:	36421
PubChem CID:	8006319
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-66.95
Dipole, Da:	2.29
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations