Geometry & MOs

Info

ID:	75677
PubChem CID:	48423835
Reduced:	ClSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	287.074678
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	3.87
IP(EA), eV:	-9.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations