Geometry & MOs

Info

ID:	229846
PubChem CID:	87569353
Reduced:	F2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	532.12504
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	3.15
IP(EA), eV:	-9.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(2-ethyl-3-fluoro-4-methylsulfonylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1,3-thiazol-2-yl]amino]acetamide

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1/C(=N\OC)/C(=O)NC)C2=CC=CC(=C2)C=C(F)F

DOS

IR

Vibrations