Geometry & MOs

Info

ID:	245199
PubChem CID:	99437865
Reduced:	ClOSN7H12C16 (1)
Stoich.:	ABCD7E12F16 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	122.01
Dipole, Da:	6.92
IP(EA), eV:	-9.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[4-[[(2S)-2-(cyclobutanecarbonylamino)propanoyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=NN=NN1C2=CC=CC(=C2)NC(=O)C3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations