Geometry & MOs

Info

ID:	76324
PubChem CID:	48424782
Reduced:	BrSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	5.48
IP(EA), eV:	-9.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethoxy)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CC1=CSC(=C1)Br)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations