Geometry & MOs

Info

ID:	40196
PubChem CID:	8143735
Reduced:	ClSN4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	54.78
Dipole, Da:	2.58
IP(EA), eV:	-8.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[ethyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=S)CN2CCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations