Geometry & MOs

Info

ID:	189446
PubChem CID:	77857436
Reduced:	SN2O5C17H30 (1)
Stoich.:	AB2C5D17E30 (1)
Weight, g/mol:	402.218843
ΔH_f, kcal/mol:	-240.46
Dipole, Da:	6.64
IP(EA), eV:	-8.78(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-6-methoxy-4,6-dioxo-5-[(2,2,7,7-tetramethylcycloheptyl)sulfanylmethyl]hexanoic acid

Drug info:

PubChemData

Smile

CCC1(CCCCCC1)SCC(C(=O)C(CC(=O)O)N)(C(=O)OC)N

DOS

IR

Vibrations