Geometry & MOs

Info

ID:	169786
PubChem CID:	75148552
Reduced:	ClFN2O2H26C28 (1)
Stoich.:	ABC2D2E26F28 (1)
Weight, g/mol:	397.22868
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	4.39
IP(EA), eV:	-8.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2(CCN1CC3=CC(=C(C=C3)O)C4=CC=CC=C4Cl)C=CC(=O)N2C5=CC(=CC=C5)F

DOS

IR

Vibrations