Geometry & MOs

Info

ID:	140937
PubChem CID:	52786417
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	387.03309
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	6.45
IP(EA), eV:	-8.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-bromophenoxy)-N-[2-(1,2,4-triazol-1-yl)pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCN1C=CC2=C1C=CC(=C2)NC(=O)CS[C@H](C)C(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations