Geometry & MOs

Info

ID:	153630
PubChem CID:	56312902
Reduced:	SF2O2N3H23C24 (1)
Stoich.:	AB2C2D3E23F24 (1)
Weight, g/mol:	360.171689
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	4.49
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(diethylamino)-N-(3-phenylbutyl)pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)/C=C/C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations