Geometry & MOs

Info

ID:	167290
PubChem CID:	74804175
Reduced:	N3O4C29H41 (1)
Stoich.:	A3B4C29D41 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-144.49
Dipole, Da:	2.15
IP(EA), eV:	-8.93(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methylsulfanyl-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC(=CC1)CN2CCC(CC2)C3(C(=O)N(C(=O)N3)CCOC)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations