Geometry & MOs

Info

ID:	202575
PubChem CID:	79689979
Reduced:	BrFSN2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	26.0
Dipole, Da:	2.25
IP(EA), eV:	-9.83(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxybut-1-ynyl)-N-methyl-N-(3-methylcyclohexyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NN=C(S2)Br

DOS

IR

Vibrations