Geometry & MOs

Info

ID:	126462
PubChem CID:	50965703
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	24.75
Dipole, Da:	4.03
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-5-(pyrimidin-2-ylsulfanylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC12CC(=O)NC2)CC3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations