Geometry & MOs

Info

ID:	195435
PubChem CID:	78684577
Reduced:	BrSO2N3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	384.098918
ΔH_f, kcal/mol:	9.08
Dipole, Da:	3.61
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NN=C(O2)C3CC3

DOS

IR

Vibrations