Geometry & MOs

Info

ID:	313178
PubChem CID:	126612377
Reduced:	SN2O4C18H30 (1)
Stoich.:	AB2C4D18E30 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-181.84
Dipole, Da:	2.08
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,8Z)-3-(methylamino)undeca-6,8,10-trien-2-one

Drug info:

PubChemData

Smile

CC[C@H](C)CC(=O)NC(CC(C1=NC(=CS1)C(=O)OC)OC)C(C)C

DOS

IR

Vibrations