Geometry & MOs

Info

ID:	294288
PubChem CID:	117450196
Reduced:	FSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	280.178693
ΔH_f, kcal/mol:	-105.46
Dipole, Da:	2.52
IP(EA), eV:	-8.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-(1-aminopropan-2-yl)-2-methoxyphenyl]carbamate

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=C(C=C2)SC3CC3)F)C(=O)O

DOS

IR

Vibrations