Geometry & MOs

Info

ID:	133186
PubChem CID:	51488976
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	409.124232
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	2.22
IP(EA), eV:	-9.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC=CS1)C(=O)CN2C(=O)[C@@]3(CCOC4=CC=CC=C43)NC2=O

DOS

IR

Vibrations