Geometry & MOs

Info

ID:	123393
PubChem CID:	50845524
Reduced:	SO2N5C25H35 (1)
Stoich.:	AB2C5D25E35 (1)
Weight, g/mol:	441.219846
ΔH_f, kcal/mol:	-61.54
Dipole, Da:	6.76
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCC(CC3)C(=O)NCCC

DOS

IR

Vibrations