Geometry & MOs

Info

ID:	440864
PubChem CID:	135231896
Reduced:	SN3O4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	475.250478
ΔH_f, kcal/mol:	-132.24
Dipole, Da:	6.41
IP(EA), eV:	-9.17(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-carboxy-2-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropyl]amino]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CSCC(C(=O)O)NC1=NC=CC(=N1)C(=O)O)/C)/C)C

DOS

IR

Vibrations