Geometry & MOs

Info

ID:	195994
PubChem CID:	78762354
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	413.046172
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	7.06
IP(EA), eV:	-9.16(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)COC1=CC(=CC=C1)Br

DOS

IR

Vibrations