Geometry & MOs

Info

ID:	306300
PubChem CID:	125003668
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	5.9
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-methoxybutyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C2=NC=CC(=C2)[C@H]3CCCN(C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations