Geometry & MOs

Info

ID:	430832
PubChem CID:	135170899
Reduced:	ClSN4O4C21H25 (1)
Stoich.:	ABC4D4E21F25 (1)
Weight, g/mol:	421.086305
ΔH_f, kcal/mol:	-97.72
Dipole, Da:	4.57
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-[(5-chloro-2-methoxyphenyl)sulfanylamino]spiro[2,5-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]-4-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)CN4CCOCC4

DOS

IR

Vibrations