Geometry & MOs

Info

ID:	158320
PubChem CID:	56463354
Reduced:	OSN2C19H30 (1)
Stoich.:	ABC2D19E30 (1)
Weight, g/mol:	399.00747
ΔH_f, kcal/mol:	-31.39
Dipole, Da:	2.26
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-2-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(C)N(C)C1CC1)SCC2=CC=CC=C2

DOS

IR

Vibrations