Geometry & MOs

Info

ID:	189049
PubChem CID:	77809193
Reduced:	ClSN2O2C14H21 (1)
Stoich.:	ABC2D2E14F21 (1)
Weight, g/mol:	515.09906
ΔH_f, kcal/mol:	-86.69
Dipole, Da:	6.26
IP(EA), eV:	-9.27(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-(1-cyanocyclopropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1)CCNS(=O)(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations