Geometry & MOs

Info

ID:	190973
PubChem CID:	78088470
Reduced:	NO5C42H83 (1)
Stoich.:	AB5C42D83 (1)
Weight, g/mol:	485.204967
ΔH_f, kcal/mol:	-393.05
Dipole, Da:	5.05
IP(EA), eV:	-9.56(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-benzodioxol-5-ylmethyl)-7-cyclopentyl-4a-methoxycarbonyl-5-methyl-2-oxo-3,4,5,7-tetrahydropyrano[4,3-b]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(C(C(CO)NC(=O)C(CCCCCCCCCCC=CCCCCC)O)O)O

DOS

IR

Vibrations