Geometry & MOs

Info

ID:	309283
PubChem CID:	126542048
Reduced:	FSN5O5C30H42 (1)
Stoich.:	ABC5D5E30F42 (1)
Weight, g/mol:	474.133779
ΔH_f, kcal/mol:	-240.78
Dipole, Da:	3.42
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-4-[4-(5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\CN(C)C(=O)C(C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CC=CC=C1)NC)/C(=O)NS(=O)(=O)C2=CC(=C(C=C2)N)F

DOS

IR

Vibrations