Geometry & MOs

Info

ID:	74189
PubChem CID:	48421566
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-73.58
Dipole, Da:	4.25
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl(pyridin-2-ylcarbamoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations