Geometry & MOs

Info

ID:	431469
PubChem CID:	135171550
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	375.116524
ΔH_f, kcal/mol:	-25.66
Dipole, Da:	6.17
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=NNC2=O)N=C1N3CCC(CC3)OCC4(CC4)C

DOS

IR

Vibrations