Geometry & MOs

Info

ID:	158567
PubChem CID:	56464195
Reduced:	BrOSN2C17H21 (1)
Stoich.:	ABCD2E17F21 (1)
Weight, g/mol:	377.159555
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	4.19
IP(EA), eV:	-9.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N(C)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations