Geometry & MOs

Info

ID:	128112
PubChem CID:	51031773
Reduced:	SN6O9C30H36 (1)
Stoich.:	AB6C9D30E36 (1)
Weight, g/mol:	318.146724
ΔH_f, kcal/mol:	-272.86
Dipole, Da:	5.1
IP(EA), eV:	-9.05(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6,7-dimethoxy-8-pentylnaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C=C1/C=N\N2C=NN=C2S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations