Geometry & MOs

Info

ID:	243687
PubChem CID:	99233989
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	418.115163
ΔH_f, kcal/mol:	-188.03
Dipole, Da:	5.34
IP(EA), eV:	-9.44(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)CCNC(=O)C2=CC=CS2

DOS

IR

Vibrations