Geometry & MOs

Info

ID:	54272
PubChem CID:	16957308
Reduced:	FOSN5C14H14 (1)
Stoich.:	ABCD5E14F14 (1)
Weight, g/mol:	331.110296
ΔH_f, kcal/mol:	16.26
Dipole, Da:	5.61
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methoxyphenyl)-5-methyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC(=CC=C3)F)C(=O)N

DOS

IR

Vibrations