Geometry & MOs

Info

ID:	376526
PubChem CID:	134222544
Reduced:	FO4N6H27C30 (1)
Stoich.:	AB4C6D27E30 (1)
Weight, g/mol:	306.077324
ΔH_f, kcal/mol:	-91.13
Dipole, Da:	5.82
IP(EA), eV:	-9.28(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-formyloxy-3-sulfo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)NC2C=CC3=CC=CC=C3C2O)C(=O)CN4C5=C(C=C(C=C5)C6=CC=NC=C6)C(=N4)C(=O)N)F

DOS

IR

Vibrations