Geometry & MOs

Info

ID:	273332
PubChem CID:	103770920
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	305.00851
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	2.9
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(2-hydroxy-4-methylpentyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations