Geometry & MOs

Info

ID:	431479
PubChem CID:	135171560
Reduced:	IOF2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	390.091725
ΔH_f, kcal/mol:	-67.6
Dipole, Da:	3.38
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC(=C(C=C2F)I)F

DOS

IR

Vibrations