Geometry & MOs

Info

ID:	219450
PubChem CID:	85148688
Reduced:	SN4O8C22H30 (1)
Stoich.:	AB4C8D22E30 (1)
Weight, g/mol:	510.236601
ΔH_f, kcal/mol:	-325.97
Dipole, Da:	9.09
IP(EA), eV:	-9.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-4aH-quinolin-2-one

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SCC3C(=O)N(C(=O)N3)C(C)C(=O)N4CCC(CC4)O)C(=O)O)C(C)O

DOS

IR

Vibrations