Geometry & MOs

Info

ID:	237474
PubChem CID:	92719321
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	438.14741
ΔH_f, kcal/mol:	-64.28
Dipole, Da:	1.99
IP(EA), eV:	-8.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-5-methyl-4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-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)NCC4=CC(=CC=C4)OC)C

DOS

IR

Vibrations