Geometry & MOs

Info

ID:	38264
PubChem CID:	8028561
Reduced:	S2N3O4C16H17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	377.112404
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	5.87
IP(EA), eV:	-9.29(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(1,3-benzodioxol-5-yl)-5-oxo-2-phenyl-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@@H]3CS(=O)(=O)C[C@@H]3SC2=NC(=O)CC#N

DOS

IR

Vibrations