Geometry & MOs

Info

ID:	122477
PubChem CID:	50808653
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	416.140593
ΔH_f, kcal/mol:	-164.58
Dipole, Da:	2.13
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N(C)CC(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations