Geometry & MOs

Info

ID:	237524
PubChem CID:	92719468
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	471.151824
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	2.53
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-4-[2-(3,4-difluoroanilino)-2-oxoethyl]-7-(4-fluorophenyl)-5-methyl-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=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)C)C

DOS

IR

Vibrations