Geometry & MOs

Info

ID:	182093
PubChem CID:	76840196
Reduced:	NSO6C26H39 (1)
Stoich.:	ABC6D26E39 (1)
Weight, g/mol:	479.234159
ΔH_f, kcal/mol:	-260.09
Dipole, Da:	5.21
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-ethoxy-3-oxopropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCOC(=O)C(CS(=O)(=O)O)NC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

DOS

IR

Vibrations