Geometry & MOs

Info

ID:	420473
PubChem CID:	135113322
Reduced:	SN3O5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	360.135304
ΔH_f, kcal/mol:	-217.5
Dipole, Da:	8.15
IP(EA), eV:	-9.42(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2-methyl-4-oxo-1H-pyrimidin-6-yl)methyl]-5-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1C)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations