Geometry & MOs

Info

ID:	217136
PubChem CID:	85087310
Reduced:	OSN5C16H25 (1)
Stoich.:	ABC5D16E25 (1)
Weight, g/mol:	335.246044
ΔH_f, kcal/mol:	6.24
Dipole, Da:	1.65
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-4-(3,7,11-trimethyldodeca-2,6,10-trienylamino)butanoate

Drug info:

PubChemData

Smile

CCCCSCC1CN(CC1O)CC2C=NC3=C2N=CN=C3N

DOS

IR

Vibrations