Geometry & MOs

Info

ID:	182473
PubChem CID:	76891888
Reduced:	OSF2N2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	306.101369
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	1.65
IP(EA), eV:	-9.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC1=CC=CC=C1SC(F)F)N

DOS

IR

Vibrations