Geometry & MOs

Info

ID:	189368
PubChem CID:	77845442
Reduced:	N2O4F7H13C22 (1)
Stoich.:	A2B4C7D13E22 (1)
Weight, g/mol:	457.04596
ΔH_f, kcal/mol:	-444.21
Dipole, Da:	9.23
IP(EA), eV:	-9.86(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-bromo-5-methylphenoxy)-2-methyl-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)OC2=CC(=CC(=C2C(=O)NC3=CN=C(C=C3)C(=O)O)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations