Geometry & MOs

Info

ID:	156835
PubChem CID:	56394621
Reduced:	S2N4O4C19H26 (1)
Stoich.:	A2B4C4D19E26 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	6.65
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]-methylamino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)C2=CC3=C(S2)N=C(S3)N(C)C

DOS

IR

Vibrations