Geometry & MOs

Info

ID:	261633
PubChem CID:	103242804
Reduced:	N2O2S2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	-47.58
Dipole, Da:	4.71
IP(EA), eV:	-9.04(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)NCC2=C(SC=C2)C(=O)O

DOS

IR

Vibrations