Geometry & MOs

Info

ID:	171969
PubChem CID:	75447680
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	335.9492
ΔH_f, kcal/mol:	-35.5
Dipole, Da:	4.3
IP(EA), eV:	-9.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCN1CCC(CC1)NC(=O)C2=NC=CC(=C2)N3C=CN=C3

DOS

IR

Vibrations