Geometry & MOs

Info

ID:	150765
PubChem CID:	53790461
Reduced:	S2N4O5C26H26 (1)
Stoich.:	A2B4C5D26E26 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-81.63
Dipole, Da:	5.92
IP(EA), eV:	-9.4(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methoxy-3-[(3-piperidin-1-ylanilino)methyl]benzoate

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)C(=O)N(C)C)OC(C2=CC3=NSN=C3C=C2)C(=O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations