Geometry & MOs

Info

ID:	298611
PubChem CID:	117651810
Reduced:	ClFNO3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	396.080074
ΔH_f, kcal/mol:	-106.18
Dipole, Da:	8.42
IP(EA), eV:	-9.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-fluoropyridin-2-yl) N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)OC2=C(C=CC(=C2F)CC(=O)O)Cl)C#N

DOS

IR

Vibrations