Geometry & MOs

Info

ID:	296333
PubChem CID:	117569119
Reduced:	N2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-7.92
Dipole, Da:	3.47
IP(EA), eV:	-7.97(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-sulfanylethylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC(C)(C)NC)C

DOS

IR

Vibrations