Geometry & MOs

Info

ID:	121769
PubChem CID:	50781072
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	484.169975
ΔH_f, kcal/mol:	-187.76
Dipole, Da:	3.63
IP(EA), eV:	-8.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C)C(=O)O

DOS

IR

Vibrations