Geometry & MOs

Info

ID:	41799
PubChem CID:	8147125
Reduced:	SF2O2N3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	416.175636
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	3.8
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

DOS

IR

Vibrations