Geometry & MOs

Info

ID:	431501
PubChem CID:	135171582
Reduced:	ClSO2N4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	405.102624
ΔH_f, kcal/mol:	33.35
Dipole, Da:	3.41
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-2-aminoethenyl]-N-(5-chloro-2-methoxypyridin-3-yl)sulfanyl-N,3-dimethyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCCC4=CC=NN43

DOS

IR

Vibrations