Geometry & MOs

Info

ID:	189445
PubChem CID:	77857435
Reduced:	SN2O5C18H32 (1)
Stoich.:	AB2C5D18E32 (1)
Weight, g/mol:	374.187543
ΔH_f, kcal/mol:	-250.02
Dipole, Da:	6.15
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-5-[(1-ethylcycloheptyl)sulfanylmethyl]-6-methoxy-4,6-dioxohexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCCC1SCC(C(=O)C(CC(=O)O)N)(C(=O)OC)N

DOS

IR

Vibrations