Geometry & MOs

Info

ID:	78366
PubChem CID:	49689108
Reduced:	SN2O5C22H26 (1)
Stoich.:	AB2C5D22E26 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-173.46
Dipole, Da:	3.14
IP(EA), eV:	-9.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[(thiophen-2-ylmethylcarbamoylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)CCS(=O)(=O)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3

DOS

IR

Vibrations