Geometry & MOs

Info

ID:	242764
PubChem CID:	99206155
Reduced:	FSO2N5H20C23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	405.191323
ΔH_f, kcal/mol:	-19.45
Dipole, Da:	3.0
IP(EA), eV:	-9.17(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[[5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-yl]carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=C(S2)NC(=O)CCNC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations