Geometry & MOs

Info

ID:	237438
PubChem CID:	92719223
Reduced:	O3N5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	4.2
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-4-(2-anilino-2-oxoethyl)-5-methyl-7-phenyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=NC=NN2[C@@H]1C3=CC=CC=C3)CC(=O)N4CCC5=CC=CC=C5C4)C

DOS

IR

Vibrations