Geometry & MOs

Info

ID:	430820
PubChem CID:	135170887
Reduced:	OF3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	395.070655
ΔH_f, kcal/mol:	-139.75
Dipole, Da:	3.36
IP(EA), eV:	-8.89(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[(5-chloro-2-methoxyphenyl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4=CN=CC=C4

DOS

IR

Vibrations