Geometry & MOs

Info

ID:	151697
PubChem CID:	56269522
Reduced:	ClN4O4C23H23 (1)
Stoich.:	AB4C4D23E23 (1)
Weight, g/mol:	383.087453
ΔH_f, kcal/mol:	-93.86
Dipole, Da:	5.47
IP(EA), eV:	-8.95(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[3-(5-methylpyrazol-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C2=CC=NC=C2)CCC(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations