Geometry & MOs

Info

ID:	175735
PubChem CID:	75942539
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	449.094283
ΔH_f, kcal/mol:	-131.06
Dipole, Da:	5.67
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NCC3CCN(CC3)CC4=CC=CS4

DOS

IR

Vibrations