Geometry & MOs

Info

ID:	45023
PubChem CID:	10507266
Reduced:	NS2O6C30H35 (1)
Stoich.:	AB2C6D30E35 (1)
Weight, g/mol:	570.28422
ΔH_f, kcal/mol:	-221.76
Dipole, Da:	4.5
IP(EA), eV:	-8.82(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methoxy-4-[1-[(2-methylpyridin-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations