Geometry & MOs

Info

ID:	123206
PubChem CID:	50837586
Reduced:	F2O2N5C24H27 (1)
Stoich.:	A2B2C5D24E27 (1)
Weight, g/mol:	498.162471
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	6.64
IP(EA), eV:	-8.65(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[7-[(2-fluorophenyl)methoxymethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]sulfonyl]-4-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC=CC=C2N=C(C1=O)N3CCC(CC3)NC(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations