Geometry & MOs

Info

ID:	431502
PubChem CID:	135171583
Reduced:	ClSO2N5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	391.086974
ΔH_f, kcal/mol:	16.23
Dipole, Da:	2.45
IP(EA), eV:	-8.44(-0.69)
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-3-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-amine

Drug info:

PubChemData

Smile

CC1COC2=C(C=C(C=N2)N(C)SC3=C(N=CC(=C3)Cl)OC)C(=N1)/C=C\N

DOS

IR

Vibrations