Geometry & MOs

Info

ID:	205181
PubChem CID:	80065664
Reduced:	FOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	270.120213
ΔH_f, kcal/mol:	-75.24
Dipole, Da:	5.11
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-4-(3-fluorophenyl)sulfanyl-2-methylbutanamide

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)SC2=CC=CC(=C2)F

DOS

IR

Vibrations