Geometry & MOs

Info

ID:	237468
PubChem CID:	92719285
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	4.69
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7S)-5-methyl-4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-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)NC[C@@H]4CCCO4)C

DOS

IR

Vibrations