Geometry & MOs

Info

ID:	237464
PubChem CID:	92719278
Reduced:	O3N5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	3.01
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-4-[2-[(4-fluorophenyl)methylamino]-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)NC4=CC5=CC=CC=C5C=C4)C

DOS

IR

Vibrations