Geometry & MOs

Info

ID:	53360
PubChem CID:	14710695
Reduced:	SC2H2O2F6 (1)
Stoich.:	AB2C2D2E6 (1)
Weight, g/mol:	314.057053
ΔH_f, kcal/mol:	-367.55
Dipole, Da:	4.36
IP(EA), eV:	-11.96(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C(C(=O)O)(F)S(F)(F)(F)(F)F

DOS

IR

Vibrations