Geometry & MOs

Info

ID:	343818
PubChem CID:	127266994
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	341.16608
ΔH_f, kcal/mol:	53.13
Dipole, Da:	5.19
IP(EA), eV:	-8.71(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[2-(methylsulfonylmethyl)anilino]pentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1CNCC2=NN=CN2C3=CC=CC=C3)OC)C

DOS

IR

Vibrations