Geometry & MOs

Info

ID:	154186
PubChem CID:	56313590
Reduced:	FSO2N5H18C23 (1)
Stoich.:	ABC2D5E18F23 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	36.89
Dipole, Da:	1.63
IP(EA), eV:	-8.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations