Geometry & MOs

Info

ID:	39621
PubChem CID:	8141674
Reduced:	ClS2N3O3H10C14 (1)
Stoich.:	AB2C3D3E10F14 (1)
Weight, g/mol:	394.996525
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	5.99
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NCC(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl

DOS

IR

Vibrations