Geometry & MOs

Info

ID:	151646
PubChem CID:	56260939
Reduced:	SO2N3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	401.04874
ΔH_f, kcal/mol:	17.36
Dipole, Da:	4.5
IP(EA), eV:	-8.22(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-5-cyclopropyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42

DOS

IR

Vibrations