Geometry & MOs

Info

ID:	147797
PubChem CID:	53787455
Reduced:	N5C12H15 (1)
Stoich.:	A5B12C15 (1)
Weight, g/mol:	527.270545
ΔH_f, kcal/mol:	114.44
Dipole, Da:	8.0
IP(EA), eV:	-8.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[[8-carboxy-1-(4-heptylphenyl)-5-hydroxyoct-2-en-4-yl]sulfanylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC=NC1=NNC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations