Geometry & MOs

Info

ID:	204527
PubChem CID:	79977646
Reduced:	NSO2F3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	365.08128
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	3.82
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-4-methylthiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N(CC(F)(F)F)C(C)C)C#CCO

DOS

IR

Vibrations