Geometry & MOs

Info

ID:	437973
PubChem CID:	135227426
Reduced:	FNOH6C7 (3)
Stoich.:	ABCD6E7 (3)
Weight, g/mol:	468.052226
ΔH_f, kcal/mol:	-196.84
Dipole, Da:	5.17
IP(EA), eV:	-9.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-chloro-3-methyl-4-(trifluoromethoxy)phenyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-4H-1,3-benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)CNCC2=C(C=CC(=C2)C3=CC=C(C=C3)OC(F)(F)F)OC=O

DOS

IR

Vibrations