Geometry & MOs

Info

ID:	169787
PubChem CID:	75148798
Reduced:	NSO4C21H35 (1)
Stoich.:	ABC4D21E35 (1)
Weight, g/mol:	425.223594
ΔH_f, kcal/mol:	-190.19
Dipole, Da:	5.98
IP(EA), eV:	-8.85(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethoxy-2-oxoacetyl)amino]-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCSCC(C(=O)O)NC(=O)COC)C)C)C

DOS

IR

Vibrations