Geometry & MOs

Info

ID:	229340
PubChem CID:	87567438
Reduced:	FS2N4O6C25H29 (1)
Stoich.:	AB2C4D6E25F29 (1)
Weight, g/mol:	342.27701
ΔH_f, kcal/mol:	-264.3
Dipole, Da:	7.02
IP(EA), eV:	-9.18(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(2-ethylbutyl)-6-methylheptanedioic acid

Drug info:

PubChemData

Smile

CC(C)CCC1CN(C(=O)/C(=C\2/NC3=C(C=C(C=C3)NS(=O)(=O)C)S(=O)(=O)N2)/C1=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations