Geometry & MOs

Info

ID:	343126
PubChem CID:	127266299
Reduced:	FO3N4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	-167.95
Dipole, Da:	2.77
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)NC2=CC(=C(C=C2)F)NC(=O)N

DOS

IR

Vibrations