Geometry & MOs

Info

ID:	244372
PubChem CID:	99344342
Reduced:	O2S2N6C15H20 (1)
Stoich.:	A2B2C6D15E20 (1)
Weight, g/mol:	406.258006
ΔH_f, kcal/mol:	27.92
Dipole, Da:	2.92
IP(EA), eV:	-9.97(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-acetyl-N-[(2R)-2-[[(3R)-1-acetylpiperidine-3-carbonyl]amino]-2-cyclopropylethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NC[C@H](C2CC2)NC(=O)C3=C(N=NS3)CC

DOS

IR

Vibrations