Geometry & MOs

Info

ID:	440865
PubChem CID:	135231900
Reduced:	SN3O4C25H37 (1)
Stoich.:	AB3C4D25E37 (1)
Weight, g/mol:	454.250144
ΔH_f, kcal/mol:	-154.76
Dipole, Da:	6.94
IP(EA), eV:	-9.19(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[carboxymethyl(ethyl)carbamoyl]amino]-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations