Geometry & MOs

Info

ID:	249422
PubChem CID:	103089345
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	3.39
IP(EA), eV:	-8.46(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(cyclopropylmethylamino)-5-methylsulfanylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCSC)NCC(C)C

DOS

IR

Vibrations