Geometry & MOs

Info

ID:	441341
PubChem CID:	135234216
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	680.317846
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	1.65
IP(EA), eV:	-9.24(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(3-morpholin-4-ylphenyl)acetyl]amino]methyl (1Z,1S)-N-(methylideneamino)-3-[[[2-(3-morpholin-4-ylphenyl)acetyl]amino]methylsulfanylmethyl]cyclohexane-1-carboximidothioate

Drug info:

PubChemData

Smile

COC(=C)CC1=CC=C(C=C1)CN

DOS

IR

Vibrations