Geometry & MOs

Info

ID:	182094
PubChem CID:	76840197
Reduced:	NSO6C25H37 (1)
Stoich.:	ABC6D25E37 (1)
Weight, g/mol:	450.218843
ΔH_f, kcal/mol:	-255.56
Dipole, Da:	2.48
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=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