Geometry & MOs

Info

ID:	299936
PubChem CID:	117978237
Reduced:	ClF2O2N3H12C22 (1)
Stoich.:	AB2C2D3E12F22 (1)
Weight, g/mol:	255.87089
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	2.11
IP(EA), eV:	-9.39(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-chloro-1,3-thiazol-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1=CN=C2C(=C1Cl)NC(=O)N(C2=O)C3=C(C=C(C=C3F)C#CC4=CC=CC=C4)F

DOS

IR

Vibrations