Geometry & MOs

Info

ID:	272333
PubChem CID:	103739914
Reduced:	BrSO2N3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	319.02416
ΔH_f, kcal/mol:	8.74
Dipole, Da:	4.44
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3-ethyl-2-hydroxypentyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC2=NOC(=N2)C)Br

DOS

IR

Vibrations