Geometry & MOs

Info

ID:	16639
PubChem CID:	474122
Reduced:	ON2F5H11C14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	318.079154
ΔH_f, kcal/mol:	-240.59
Dipole, Da:	3.38
IP(EA), eV:	-9.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-cyclopropylethenyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

C1CC1C=C[C@]2(C3=C(C=CC(=C3F)F)NC(=O)N2)C(F)(F)F

DOS

IR

Vibrations