Geometry & MOs

Info

ID:	439541
PubChem CID:	135229317
Reduced:	O7N14C42H52 (1)
Stoich.:	A7B14C42D52 (1)
Weight, g/mol:	266.064651
ΔH_f, kcal/mol:	-55.54
Dipole, Da:	4.29
IP(EA), eV:	-8.16(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-carboxypropyldisulfanyl)hexanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CN=C2N1C(=O)N(C=C2NC3=CN(N=C3OC)C)C4CCCN(C4)C(=O)C(=C)COC5=CN=C6N5C(=O)N(C=C6NC7=CN(N=C7OC)C)C8CCCN(C8)C(=O)C=C

DOS

IR

Vibrations