Geometry & MOs

Info

ID:	431079
PubChem CID:	135171149
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	465.11252
ΔH_f, kcal/mol:	94.35
Dipole, Da:	3.42
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCC1(N=N1)CCOC2=CC=CC(=C2)C=O

DOS

IR

Vibrations