Geometry & MOs

Info

ID:	430922
PubChem CID:	135170992
Reduced:	FSN4O5C20H25 (1)
Stoich.:	ABC4D5E20F25 (1)
Weight, g/mol:	440.092119
ΔH_f, kcal/mol:	-182.83
Dipole, Da:	3.32
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 7-[(5-chloro-2-methoxypyridin-3-yl)sulfanylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)F)SN(C)C2=CC3=C(N=C2)OCCN(C3)C(=O)OCCOC

DOS

IR

Vibrations