Geometry & MOs

Info

ID:	249177
PubChem CID:	103087451
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	5.57
IP(EA), eV:	-8.5(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-(4-methylsulfanylbutylamino)benzoate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NCCCCSC

DOS

IR

Vibrations