Geometry & MOs

Info

ID:	190669
PubChem CID:	78039636
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	525.221676
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	3.54
IP(EA), eV:	-8.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-acetylpiperidin-4-yl)-N-[1-[[1-benzothiophen-2-yl-(4-chlorophenyl)methyl]amino]-3-methylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC=C(C1=CC=C(C=C1)CCC(=O)NC2=C(CCCC2)C(=O)O)NNC

DOS

IR

Vibrations