Geometry & MOs

Info

ID:	264024
PubChem CID:	103418352
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	308.101706
ΔH_f, kcal/mol:	-137.98
Dipole, Da:	3.89
IP(EA), eV:	-8.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-4-cyclopropyl-5-thiomorpholin-4-ylthiophen-2-yl)-cyclopropylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)N2CCC(CC2)CO)N

DOS

IR

Vibrations