Geometry & MOs

Info

ID:	237463
PubChem CID:	92719276
Reduced:	ClO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	467.19574
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	3.78
IP(EA), eV:	-9.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-5-methyl-4-[2-(naphthalen-2-ylamino)-2-oxoethyl]-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=C(C(=CC=C4)Cl)C)C

DOS

IR

Vibrations