Geometry & MOs

Info

ID:	54273
PubChem CID:	16957309
Reduced:	SO2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	364.076075
ΔH_f, kcal/mol:	22.82
Dipole, Da:	7.11
IP(EA), eV:	-8.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(2-chlorophenyl)-5-ethyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations