Geometry & MOs

Info

ID:	430814
PubChem CID:	135170881
Reduced:	ClSN4O4C16H17 (1)
Stoich.:	ABC4D4E16F17 (1)
Weight, g/mol:	442.086639
ΔH_f, kcal/mol:	-92.29
Dipole, Da:	1.51
IP(EA), eV:	-8.76(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC2=C(N=C1)OCCN(C2)C(=O)O)SC3=C(N=CC(=C3)Cl)OC

DOS

IR

Vibrations