Geometry & MOs

Info

ID:	75673
PubChem CID:	48423829
Reduced:	SN3O3C21H31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	326.202799
ΔH_f, kcal/mol:	-126.07
Dipole, Da:	2.83
IP(EA), eV:	-8.54(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2(CCCC2)N3CCSCC3

DOS

IR

Vibrations