Geometry & MOs

Info

ID:	309259
PubChem CID:	126541264
Reduced:	O3N6C25H32 (1)
Stoich.:	A3B6C25D32 (1)
Weight, g/mol:	442.192629
ΔH_f, kcal/mol:	27.83
Dipole, Da:	3.29
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(N-(1-cyclobutylpiperidin-4-yl)sulfonylanilino)methyl]benzoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2CC(C2)C3=NN=C(O3)C4CC(C4)NC(C5=CC(=NO5)C6=CC=CC=C6)O

DOS

IR

Vibrations