Geometry & MOs

Info

ID:	37994
PubChem CID:	8026286
Reduced:	NOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	3.2
IP(EA), eV:	-9.17(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC(=C2)F)F)C

DOS

IR

Vibrations