Geometry & MOs

Info

ID:	196860
PubChem CID:	78888725
Reduced:	FO2N6C21H23 (1)
Stoich.:	AB2C6D21E23 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-26.3
Dipole, Da:	3.88
IP(EA), eV:	-9.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(ethylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)CNC(=O)C(CC2=CC(=CC=C2)F)N3C(=NN=N3)C

DOS

IR

Vibrations