Geometry & MOs

Info

ID:	431547
PubChem CID:	135171635
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	388.136925
ΔH_f, kcal/mol:	-10.5
Dipole, Da:	3.4
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)(C)CN=O)[N+](=O)[O-]

DOS

IR

Vibrations