Geometry & MOs

Info

ID:	143066
PubChem CID:	53142247
Reduced:	ClSO2N5C25H28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	482.154325
ΔH_f, kcal/mol:	-12.47
Dipole, Da:	9.18
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=NC(=NC=C3)SCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations