Geometry & MOs

Info

ID:	43232
PubChem CID:	10320007
Reduced:	SN3O6C19H23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-220.6
Dipole, Da:	10.48
IP(EA), eV:	-9.33(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN([C@H](C1)C(=O)O)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations