Geometry & MOs

Info

ID:	242935
PubChem CID:	99214368
Reduced:	BrOSN3C19H22 (1)
Stoich.:	ABCD3E19F22 (1)
Weight, g/mol:	432.165369
ΔH_f, kcal/mol:	23.95
Dipole, Da:	3.07
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br

DOS

IR

Vibrations