Geometry & MOs

Info

ID:	307605
PubChem CID:	125307718
Reduced:	NO3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	369.089561
ΔH_f, kcal/mol:	-149.2
Dipole, Da:	10.22
IP(EA), eV:	-9.26(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7R)-5-oxo-2-(phenoxymethyl)-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3C[C@H]4C(=C5C=CC=CC5=N4)C[C@@H]3C(=O)OC

DOS

IR

Vibrations