Geometry & MOs

Info

ID:	202435
PubChem CID:	79672125
Reduced:	NSO4C11H23 (1)
Stoich.:	ABC4D11E23 (1)
Weight, g/mol:	303.150429
ΔH_f, kcal/mol:	-201.36
Dipole, Da:	4.63
IP(EA), eV:	-9.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(cyclopropylamino)-3-(2,3-dihydroxypropylsulfanyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(CCCSCC(CO)O)(C(=O)OC)NC

DOS

IR

Vibrations