Geometry & MOs

Info

ID:	222744
PubChem CID:	85332268
Reduced:	S2N3O4C25H33 (1)
Stoich.:	A2B3C4D25E33 (1)
Weight, g/mol:	505.351572
ΔH_f, kcal/mol:	-107.07
Dipole, Da:	3.29
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[5,6-dihydroxy-2-methyl-8-(2-methylpropylamino)-8-oxooctan-4-yl]-4-methyl-1-N,1-N-dipropylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC(=C3)CN4CCCCC4)C(=O)NO)C

DOS

IR

Vibrations