Geometry & MOs

Info

ID:	75043
PubChem CID:	48422912
Reduced:	BrSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	1.93
IP(EA), eV:	-9.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations