Geometry & MOs

Info

ID:	431011
PubChem CID:	135171081
Reduced:	ON3F4H11C16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-147.63
Dipole, Da:	5.64
IP(EA), eV:	-9.13(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[7-[(2-methoxy-5-methylphenyl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=C(C=CC=N2)F)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations